6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine

C54H53Cl6N13O5 — CID 160691804

IUPAC6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ccc(Cl)cc1C.CNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1C.Cc1cc(Cl)ccc1N.Cc1ccnc(N)c1
InChIInChI=1S/C20H18ClN5O3.C14H13Cl2N3O.C7H6Cl2N2O.C7H8ClN.C6H8N2/c1-11-7-13(21)3-4-15(11)25-16-9-18(24-10-14(16)19(27)22-2)26-17-8-12(20(28)29)5-6-23-17;1-8-5-9(15)3-4-11(8)19-12-6-13(16)18-7-10(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-4-6(8)2-3-7(5)9;1-5-2-3-8-6(7)4-5/h3-10H,1-2H3,(H,22,27)(H,28,29)(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)
InChIKeyRPMQDVQXFIZMCF-UHFFFAOYSA-N
MW1176.82 g/mol
LogP12.73
Rot. Bonds10

About 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine

6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine (PubChem CID 160691804) has the molecular formula C54H53Cl6N13O5 and a molecular weight of 1176.82 g/mol. Its IUPAC name is 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine
PubChem CID160691804
Molecular FormulaC54H53Cl6N13O5
Molecular Weight1176.82 g/mol
Exact Mass1173.24
IUPAC Name6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ccc(Cl)cc1C.CNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1C.Cc1cc(Cl)ccc1N.Cc1ccnc(N)c1
InChIInChI=1S/C20H18ClN5O3.C14H13Cl2N3O.C7H6Cl2N2O.C7H8ClN.C6H8N2/c1-11-7-13(21)3-4-15(11)25-16-9-18(24-10-14(16)19(27)22-2)26-17-8-12(20(28)29)5-6-23-17;1-8-5-9(15)3-4-11(8)19-12-6-13(16)18-7-10(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-4-6(8)2-3-7(5)9;1-5-2-3-8-6(7)4-5/h3-10H,1-2H3,(H,22,27)(H,28,29)(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)
InChIKeyRPMQDVQXFIZMCF-UHFFFAOYSA-N
XLogP12.73
TPSA277.18 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001176.82
LogP ≤ 512.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine 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 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine?
The IUPAC name of 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine (CID 160691804) is 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine is CNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ccc(Cl)cc1C.CNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1C.Cc1cc(Cl)ccc1N.Cc1ccnc(N)c1.
What is the InChIKey of 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine?
The InChIKey is RPMQDVQXFIZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3.C14H13Cl2N3O.C7H6Cl2N2O.C7H8ClN.C6H8N2/c1-11-7-13(21)3-4-15(11)25-16-9-18(24-10-14(16)19(27)22-2)26-17-8-12(20(28)29)5-6-23-17;1-8-5-9(15)3-4-11(8)19-12-6-13(16)18-7-10(12)14(20)17-2;1-10-7(12)4-3-11-6(9)2-5(4)8;1-5-4-6(8)2-3-7(5)9;1-5-2-3-8-6(7)4-5/h3-10H,1-2H3,(H,22,27)(H,28,29)(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-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine?
6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine has a molecular weight of 1176.82 g/mol, XLogP of 12.73, 10 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide;4-chloro-2-methylaniline;2-[[4-(4-chloro-2-methylanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid;4,6-dichloro-N-methylpyridine-3-carboxamide;4-methylpyridin-2-amine is sourced from PubChem (CID 160691804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).