4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate

C133H134F3N33O16S2 — CID 161118382

IUPAC4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)O)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc(C)cs2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C25H27N5O4.C23H23N5O4.C23H25N5O2.C22H20N6O2S.C21H19F3N6O2.C19H20N6O2S/c1-3-26-25(33)30-22-15-21(28-18-8-6-5-7-9-18)20(16-27-22)24(32)29-19-12-10-17(11-13-19)14-23(31)34-4-2;1-2-24-23(32)28-20-13-19(26-16-6-4-3-5-7-16)18(14-25-20)22(31)27-17-10-8-15(9-11-17)12-21(29)30;1-4-24-23(30)28-21-13-20(26-17-8-6-5-7-9-17)19(14-25-21)22(29)27-18-11-15(2)10-16(3)12-18;1-2-23-21(30)27-19-12-17(25-14-8-4-3-5-9-14)15(13-24-19)20(29)28-22-26-16-10-6-7-11-18(16)31-22;1-2-25-20(32)30-18-10-16(28-13-6-4-3-5-7-13)15(12-27-18)19(31)29-14-8-9-17(26-11-14)21(22,23)24;1-3-20-18(27)24-16-9-15(23-13-7-5-4-6-8-13)14(10-21-16)17(26)25-19-22-12(2)11-28-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,32)(H3,26,27,28,30,33);3-11,13-14H,2,12H2,1H3,(H,27,31)(H,29,30)(H3,24,25,26,28,32);5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-13H,2H2,1H3,(H,26,28,29)(H3,23,24,25,27,30);3-12H,2H2,1H3,(H,29,31)(H3,25,27,28,30,32);4-11H,3H2,1-2H3,(H,22,25,26)(H3,20,21,23,24,27)
InChIKeyUKPVPWQVQYGFNJ-UHFFFAOYSA-N
MW2571.88 g/mol
LogP26.45
Rot. Bonds41

About 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate

4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate (PubChem CID 161118382) has the molecular formula C133H134F3N33O16S2 and a molecular weight of 2571.88 g/mol. Its IUPAC name is 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Name4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate
PubChem CID161118382
Molecular FormulaC133H134F3N33O16S2
Molecular Weight2571.88 g/mol
Exact Mass2570.01
IUPAC Name4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)O)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc(C)cs2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C25H27N5O4.C23H23N5O4.C23H25N5O2.C22H20N6O2S.C21H19F3N6O2.C19H20N6O2S/c1-3-26-25(33)30-22-15-21(28-18-8-6-5-7-9-18)20(16-27-22)24(32)29-19-12-10-17(11-13-19)14-23(31)34-4-2;1-2-24-23(32)28-20-13-19(26-16-6-4-3-5-7-16)18(14-25-20)22(31)27-17-10-8-15(9-11-17)12-21(29)30;1-4-24-23(30)28-21-13-20(26-17-8-6-5-7-9-17)19(14-25-21)22(29)27-18-11-15(2)10-16(3)12-18;1-2-23-21(30)27-19-12-17(25-14-8-4-3-5-9-14)15(13-24-19)20(29)28-22-26-16-10-6-7-11-18(16)31-22;1-2-25-20(32)30-18-10-16(28-13-6-4-3-5-7-13)15(12-27-18)19(31)29-14-8-9-17(26-11-14)21(22,23)24;1-3-20-18(27)24-16-9-15(23-13-7-5-4-6-8-13)14(10-21-16)17(26)25-19-22-12(2)11-28-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,32)(H3,26,27,28,30,33);3-11,13-14H,2,12H2,1H3,(H,27,31)(H,29,30)(H3,24,25,26,28,32);5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-13H,2H2,1H3,(H,26,28,29)(H3,23,24,25,27,30);3-12H,2H2,1H3,(H,29,31)(H3,25,27,28,30,32);4-11H,3H2,1-2H3,(H,22,25,26)(H3,20,21,23,24,27)
InChIKeyUKPVPWQVQYGFNJ-UHFFFAOYSA-N
XLogP26.45
TPSA673.17 Ų
H-Bond Donors25
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002571.88
LogP ≤ 526.45
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1032

Analyze 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate?
The IUPAC name of 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate (CID 161118382) is 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate?
The canonical SMILES for 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)O)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CC(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc(C)cs2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2nc3ccccc3s2)cn1.
What is the InChIKey of 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate?
The InChIKey is UKPVPWQVQYGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4.C23H23N5O4.C23H25N5O2.C22H20N6O2S.C21H19F3N6O2.C19H20N6O2S/c1-3-26-25(33)30-22-15-21(28-18-8-6-5-7-9-18)20(16-27-22)24(32)29-19-12-10-17(11-13-19)14-23(31)34-4-2;1-2-24-23(32)28-20-13-19(26-16-6-4-3-5-7-16)18(14-25-20)22(31)27-17-10-8-15(9-11-17)12-21(29)30;1-4-24-23(30)28-21-13-20(26-17-8-6-5-7-9-17)19(14-25-21)22(29)27-18-11-15(2)10-16(3)12-18;1-2-23-21(30)27-19-12-17(25-14-8-4-3-5-9-14)15(13-24-19)20(29)28-22-26-16-10-6-7-11-18(16)31-22;1-2-25-20(32)30-18-10-16(28-13-6-4-3-5-7-13)15(12-27-18)19(31)29-14-8-9-17(26-11-14)21(22,23)24;1-3-20-18(27)24-16-9-15(23-13-7-5-4-6-8-13)14(10-21-16)17(26)25-19-22-12(2)11-28-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,32)(H3,26,27,28,30,33);3-11,13-14H,2,12H2,1H3,(H,27,31)(H,29,30)(H3,24,25,26,28,32);5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-13H,2H2,1H3,(H,26,28,29)(H3,23,24,25,27,30);3-12H,2H2,1H3,(H,29,31)(H3,25,27,28,30,32);4-11H,3H2,1-2H3,(H,22,25,26)(H3,20,21,23,24,27).
What are the key properties of 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate?
4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate has a molecular weight of 2571.88 g/mol, XLogP of 26.45, 41 rotatable bonds, 25 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(1,3-benzothiazol-2-yl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-(3,5-dimethylphenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetic acid;4-anilino-6-(ethylcarbamoylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide;ethyl 2-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 161118382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).