N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C86H78Cl4N22O5 — CID 159841023

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1nc(-n2cncn2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N(C)CCN(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCNC(=O)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncn(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)n1
InChIInChI=1S/C23H26ClN5O.C22H20ClN5O2.C21H17ClN6O.C20H15ClN6O/c1-16-18(9-11-22(26-16)29(4)14-13-28(2)3)23(30)27-17-8-10-20(24)19(15-17)21-7-5-6-12-25-21;1-14-16(6-8-20(26-14)28-11-10-25-21(29)13-28)22(30)27-15-5-7-18(23)17(12-15)19-4-2-3-9-24-19;1-13-16(7-9-20(25-13)28-12-24-14(2)27-28)21(29)26-15-6-8-18(22)17(11-15)19-5-3-4-10-23-19;1-13-15(6-8-19(25-13)27-12-22-11-24-27)20(28)26-14-5-7-17(21)16(10-14)18-4-2-3-9-23-18/h5-12,15H,13-14H2,1-4H3,(H,27,30);2-9,12H,10-11,13H2,1H3,(H,25,29)(H,27,30);3-12H,1-2H3,(H,26,29);2-12H,1H3,(H,26,28)
InChIKeyNORGRDHMSGGGIB-UHFFFAOYSA-N
MW1641.53 g/mol
LogP15.83
Rot. Bonds19

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 159841023) has the molecular formula C86H78Cl4N22O5 and a molecular weight of 1641.53 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID159841023
Molecular FormulaC86H78Cl4N22O5
Molecular Weight1641.53 g/mol
Exact Mass1638.53
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1nc(-n2cncn2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N(C)CCN(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCNC(=O)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncn(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)n1
InChIInChI=1S/C23H26ClN5O.C22H20ClN5O2.C21H17ClN6O.C20H15ClN6O/c1-16-18(9-11-22(26-16)29(4)14-13-28(2)3)23(30)27-17-8-10-20(24)19(15-17)21-7-5-6-12-25-21;1-14-16(6-8-20(26-14)28-11-10-25-21(29)13-28)22(30)27-15-5-7-18(23)17(12-15)19-4-2-3-9-24-19;1-13-16(7-9-20(25-13)28-12-24-14(2)27-28)21(29)26-15-6-8-18(22)17(11-15)19-5-3-4-10-23-19;1-13-15(6-8-19(25-13)27-12-22-11-24-27)20(28)26-14-5-7-17(21)16(10-14)18-4-2-3-9-23-18/h5-12,15H,13-14H2,1-4H3,(H,27,30);2-9,12H,10-11,13H2,1H3,(H,25,29)(H,27,30);3-12H,1-2H3,(H,26,29);2-12H,1H3,(H,26,28)
InChIKeyNORGRDHMSGGGIB-UHFFFAOYSA-N
XLogP15.83
TPSA319.76 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.53
LogP ≤ 515.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 159841023) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1nc(-n2cncn2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N(C)CCN(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCNC(=O)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncn(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)n1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is NORGRDHMSGGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O.C22H20ClN5O2.C21H17ClN6O.C20H15ClN6O/c1-16-18(9-11-22(26-16)29(4)14-13-28(2)3)23(30)27-17-8-10-20(24)19(15-17)21-7-5-6-12-25-21;1-14-16(6-8-20(26-14)28-11-10-25-21(29)13-28)22(30)27-15-5-7-18(23)17(12-15)19-4-2-3-9-24-19;1-13-16(7-9-20(25-13)28-12-24-14(2)27-28)21(29)26-15-6-8-18(22)17(11-15)19-5-3-4-10-23-19;1-13-15(6-8-19(25-13)27-12-22-11-24-27)20(28)26-14-5-7-17(21)16(10-14)18-4-2-3-9-23-18/h5-12,15H,13-14H2,1-4H3,(H,27,30);2-9,12H,10-11,13H2,1H3,(H,25,29)(H,27,30);3-12H,1-2H3,(H,26,29);2-12H,1H3,(H,26,28).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 1641.53 g/mol, XLogP of 15.83, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159841023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).