6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine

C54H55Cl3F3N13O3S2 — CID 158817588

IUPAC6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1cccc(F)c1C.CNC(=O)c1cnc(Nc2cc(SC)ccn2)cc1Nc1cccc(F)c1C.CSc1ccnc(N)c1.Cc1c(N)cccc1F
InChIInChI=1S/C20H20FN5OS.C14H13ClFN3O.C7H6Cl2N2O.C7H8FN.C6H8N2S/c1-12-15(21)5-4-6-16(12)25-17-10-19(24-11-14(17)20(27)22-2)26-18-9-13(28-3)7-8-23-18;1-8-10(16)4-3-5-11(8)19-12-6-13(15)18-7-9(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-6(8)3-2-4-7(5)9;1-9-5-2-3-8-6(7)4-5/h4-11H,1-3H3,(H,22,27)(H2,23,24,25,26);3-7H,1-2H3,(H,17,20)(H,18,19);2-3H,1H3,(H,10,12);2-4H,9H2,1H3;2-4H,1H3,(H2,7,8)
InChIKeyIVLOSTCJMGKVGM-UHFFFAOYSA-N
MW1161.61 g/mol
LogP12.63
Rot. Bonds11

About 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine

6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine (PubChem CID 158817588) has the molecular formula C54H55Cl3F3N13O3S2 and a molecular weight of 1161.61 g/mol. Its IUPAC name is 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine
PubChem CID158817588
Molecular FormulaC54H55Cl3F3N13O3S2
Molecular Weight1161.61 g/mol
Exact Mass1159.30
IUPAC Name6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1cccc(F)c1C.CNC(=O)c1cnc(Nc2cc(SC)ccn2)cc1Nc1cccc(F)c1C.CSc1ccnc(N)c1.Cc1c(N)cccc1F
InChIInChI=1S/C20H20FN5OS.C14H13ClFN3O.C7H6Cl2N2O.C7H8FN.C6H8N2S/c1-12-15(21)5-4-6-16(12)25-17-10-19(24-11-14(17)20(27)22-2)26-18-9-13(28-3)7-8-23-18;1-8-10(16)4-3-5-11(8)19-12-6-13(15)18-7-9(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-6(8)3-2-4-7(5)9;1-9-5-2-3-8-6(7)4-5/h4-11H,1-3H3,(H,22,27)(H2,23,24,25,26);3-7H,1-2H3,(H,17,20)(H,18,19);2-3H,1H3,(H,10,12);2-4H,9H2,1H3;2-4H,1H3,(H2,7,8)
InChIKeyIVLOSTCJMGKVGM-UHFFFAOYSA-N
XLogP12.63
TPSA239.88 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001161.61
LogP ≤ 512.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine with MolForge

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Related Compounds

4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 121284857
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(4-pyrimidin-5-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);4-pyrimidin-5-ylaniline
CID 157978722
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide);methane
CID 158320660
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine
CID 158613222
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyrimidin-2-amine
CID 158750537
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 158805901
1-(2-amino-4-pyridinyl)propan-1-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158860971
(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158866719
4-amino-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane
CID 159880192
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-3-amine
CID 160141058

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine?
The IUPAC name of 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine (CID 158817588) is 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine?
The canonical SMILES for 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine is CNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1cccc(F)c1C.CNC(=O)c1cnc(Nc2cc(SC)ccn2)cc1Nc1cccc(F)c1C.CSc1ccnc(N)c1.Cc1c(N)cccc1F.
What is the InChIKey of 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine?
The InChIKey is IVLOSTCJMGKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS.C14H13ClFN3O.C7H6Cl2N2O.C7H8FN.C6H8N2S/c1-12-15(21)5-4-6-16(12)25-17-10-19(24-11-14(17)20(27)22-2)26-18-9-13(28-3)7-8-23-18;1-8-10(16)4-3-5-11(8)19-12-6-13(15)18-7-9(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-6(8)3-2-4-7(5)9;1-9-5-2-3-8-6(7)4-5/h4-11H,1-3H3,(H,22,27)(H2,23,24,25,26);3-7H,1-2H3,(H,17,20)(H,18,19);2-3H,1H3,(H,10,12);2-4H,9H2,1H3;2-4H,1H3,(H2,7,8).
What are the key properties of 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine?
6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine has a molecular weight of 1161.61 g/mol, XLogP of 12.63, 11 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-fluoro-2-methylanilino)-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;3-fluoro-2-methylaniline;4-(3-fluoro-2-methylanilino)-N-methyl-6-[(4-methylsulfanyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 158817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).