6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

C77H62Cl7F3N14O4 — CID 158937633

IUPAC6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESCCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.CN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C21H17ClF3N3O.C21H22ClN5O.C18H13Cl2N3O.C17H10Cl3N3O/c1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19;1-11-13(6-8-17(20)22-11)18(24)23-12-5-7-15(19)14(10-12)16-4-2-3-9-21-16;18-13-5-4-11(8-12(13)15-3-1-2-6-21-15)23-17(24)10-7-14(19)16(20)22-9-10/h4-11H,3H2,1-2H3,(H,28,29);3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28);2-10H,1H3,(H,23,24);1-9H,(H,23,24)
InChIKeyJJVRVRAJXVOWNB-UHFFFAOYSA-N
MW1552.60 g/mol
LogP20.33
Rot. Bonds17

About 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 158937633) has the molecular formula C77H62Cl7F3N14O4 and a molecular weight of 1552.60 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID158937633
Molecular FormulaC77H62Cl7F3N14O4
Molecular Weight1552.60 g/mol
Exact Mass1548.29
IUPAC Name6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESCCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.CN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C21H17ClF3N3O.C21H22ClN5O.C18H13Cl2N3O.C17H10Cl3N3O/c1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19;1-11-13(6-8-17(20)22-11)18(24)23-12-5-7-15(19)14(10-12)16-4-2-3-9-21-16;18-13-5-4-11(8-12(13)15-3-1-2-6-21-15)23-17(24)10-7-14(19)16(20)22-9-10/h4-11H,3H2,1-2H3,(H,28,29);3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28);2-10H,1H3,(H,23,24);1-9H,(H,23,24)
InChIKeyJJVRVRAJXVOWNB-UHFFFAOYSA-N
XLogP20.33
TPSA234.79 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.60
LogP ≤ 520.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (CID 158937633) is 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is CCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.CN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is JJVRVRAJXVOWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O.C21H22ClN5O.C18H13Cl2N3O.C17H10Cl3N3O/c1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19;1-11-13(6-8-17(20)22-11)18(24)23-12-5-7-15(19)14(10-12)16-4-2-3-9-21-16;18-13-5-4-11(8-12(13)15-3-1-2-6-21-15)23-17(24)10-7-14(19)16(20)22-9-10/h4-11H,3H2,1-2H3,(H,28,29);3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28);2-10H,1H3,(H,23,24);1-9H,(H,23,24).
What are the key properties of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 1552.60 g/mol, XLogP of 20.33, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158937633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).