6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane

C145H195N15O19 — CID 157142383

IUPAC6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane
SMILESC.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C)cc1)c1ccc(C(C)C)c(OCC(C)C)c1.CCN(c1ccc(OCC(C)C)c(C(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(OCC2CC2)c(C(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C22H31NO.C21H26N2O3.2C21H28N2O3.C20H27N3O3.C20H26N2O3.C19H25N3O3.CH4/c1-7-23(19-10-8-18(6)9-11-19)20-12-13-21(17(4)5)22(14-20)24-15-16(2)3;1-4-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(18(11-17)14(2)3)26-13-15-5-6-15;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3;1-6-23(20-21-10-15(11-22-20)19(24)25)16-7-8-17(14(4)5)18(9-16)26-12-13(2)3;1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5;1-6-22(19-20-10-14(11-21-19)18(23)24)15-7-8-16(12(2)3)17(9-15)25-13(4)5;/h8-14,16-17H,7,15H2,1-6H3;7-12,14-15H,4-6,13H2,1-3H3,(H,24,25);2*7-12,14-15H,6,13H2,1-5H3,(H,24,25);7-11,13-14H,6,12H2,1-5H3,(H,24,25);7-14H,6H2,1-5H3,(H,23,24);7-13H,6H2,1-5H3,(H,23,24);1H4
InChIKeyAKIHTLPYDSEOFH-UHFFFAOYSA-N
MW2452.24 g/mol
LogP35.57
Rot. Bonds53

About 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane

6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane (PubChem CID 157142383) has the molecular formula C145H195N15O19 and a molecular weight of 2452.24 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane.

Molecular Properties

Compound Name6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane
PubChem CID157142383
Molecular FormulaC145H195N15O19
Molecular Weight2452.24 g/mol
Exact Mass2450.48
IUPAC Name6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane
SMILESC.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C)cc1)c1ccc(C(C)C)c(OCC(C)C)c1.CCN(c1ccc(OCC(C)C)c(C(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(OCC2CC2)c(C(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C22H31NO.C21H26N2O3.2C21H28N2O3.C20H27N3O3.C20H26N2O3.C19H25N3O3.CH4/c1-7-23(19-10-8-18(6)9-11-19)20-12-13-21(17(4)5)22(14-20)24-15-16(2)3;1-4-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(18(11-17)14(2)3)26-13-15-5-6-15;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3;1-6-23(20-21-10-15(11-22-20)19(24)25)16-7-8-17(14(4)5)18(9-16)26-12-13(2)3;1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5;1-6-22(19-20-10-14(11-21-19)18(23)24)15-7-8-16(12(2)3)17(9-15)25-13(4)5;/h8-14,16-17H,7,15H2,1-6H3;7-12,14-15H,4-6,13H2,1-3H3,(H,24,25);2*7-12,14-15H,6,13H2,1-5H3,(H,24,25);7-11,13-14H,6,12H2,1-5H3,(H,24,25);7-14H,6H2,1-5H3,(H,23,24);7-13H,6H2,1-5H3,(H,23,24);1H4
InChIKeyAKIHTLPYDSEOFH-UHFFFAOYSA-N
XLogP35.57
TPSA414.21 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds53
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002452.24
LogP ≤ 535.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane?
The IUPAC name of 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane (CID 157142383) is 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane.
What is the SMILES notation for 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane?
The canonical SMILES for 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane is C.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ncc(C(=O)O)cn1.CCN(c1ccc(C)cc1)c1ccc(C(C)C)c(OCC(C)C)c1.CCN(c1ccc(OCC(C)C)c(C(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(OCC2CC2)c(C(C)C)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane?
The InChIKey is AKIHTLPYDSEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.C21H26N2O3.2C21H28N2O3.C20H27N3O3.C20H26N2O3.C19H25N3O3.CH4/c1-7-23(19-10-8-18(6)9-11-19)20-12-13-21(17(4)5)22(14-20)24-15-16(2)3;1-4-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(18(11-17)14(2)3)26-13-15-5-6-15;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5;1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3;1-6-23(20-21-10-15(11-22-20)19(24)25)16-7-8-17(14(4)5)18(9-16)26-12-13(2)3;1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5;1-6-22(19-20-10-14(11-21-19)18(23)24)15-7-8-16(12(2)3)17(9-15)25-13(4)5;/h8-14,16-17H,7,15H2,1-6H3;7-12,14-15H,4-6,13H2,1-3H3,(H,24,25);2*7-12,14-15H,6,13H2,1-5H3,(H,24,25);7-11,13-14H,6,12H2,1-5H3,(H,24,25);7-14H,6H2,1-5H3,(H,23,24);7-13H,6H2,1-5H3,(H,23,24);1H4.
What are the key properties of 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane?
6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane has a molecular weight of 2452.24 g/mol, XLogP of 35.57, 53 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethoxy)-N-ethyl-3-propan-2-ylanilino]pyridine-3-carboxylic acid;N-ethyl-N-(4-methylphenyl)-3-(2-methylpropoxy)-4-propan-2-ylaniline;6-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid;6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[N-ethyl-3-(2-methylpropoxy)-4-propan-2-ylanilino]pyrimidine-5-carboxylic acid;6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid;2-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyrimidine-5-carboxylic acid;methane is sourced from PubChem (CID 157142383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).