4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane

C39H37F2N11O5 — CID 144625201

IUPAC4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
SMILESC.CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O.NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O
InChIInChI=1S/C20H19FN6O2.C18H14FN5O3.CH4/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28;19-10-5-6-15(21-8-10)24-16-7-14(12(9-22-16)18(26)27)23-13-4-2-1-3-11(13)17(20)25;/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27);1-9H,(H2,20,25)(H,26,27)(H2,21,22,23,24);1H4
InChIKeyQVVFMVBFANXJQI-UHFFFAOYSA-N
MW777.79 g/mol
LogP6.49
Rot. Bonds13

About 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane

4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane (PubChem CID 144625201) has the molecular formula C39H37F2N11O5 and a molecular weight of 777.79 g/mol. Its IUPAC name is 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
PubChem CID144625201
Molecular FormulaC39H37F2N11O5
Molecular Weight777.79 g/mol
Exact Mass777.29
IUPAC Name4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
SMILESC.CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O.NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O
InChIInChI=1S/C20H19FN6O2.C18H14FN5O3.CH4/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28;19-10-5-6-15(21-8-10)24-16-7-14(12(9-22-16)18(26)27)23-13-4-2-1-3-11(13)17(20)25;/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27);1-9H,(H2,20,25)(H,26,27)(H2,21,22,23,24);1H4
InChIKeyQVVFMVBFANXJQI-UHFFFAOYSA-N
XLogP6.49
TPSA252.26 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500777.79
LogP ≤ 56.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane with MolForge

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Related Compounds

6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-ethylanilino)pyridine-3-carboxamide
CID 175501425
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501344
aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 160857576
4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
CID 118473464
6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine
CID 161321206
4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501407
4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
CID 157325414

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane?
The IUPAC name of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane (CID 144625201) is 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane.
What is the SMILES notation for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane?
The canonical SMILES for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane is C.CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O.NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.
What is the InChIKey of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane?
The InChIKey is QVVFMVBFANXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2.C18H14FN5O3.CH4/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28;19-10-5-6-15(21-8-10)24-16-7-14(12(9-22-16)18(26)27)23-13-4-2-1-3-11(13)17(20)25;/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27);1-9H,(H2,20,25)(H,26,27)(H2,21,22,23,24);1H4.
What are the key properties of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane?
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane has a molecular weight of 777.79 g/mol, XLogP of 6.49, 13 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 144625201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).