N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide

C21H23ClN6O — CID 71025382

IUPACN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(N4CCNCC4)nc3)ccc2Cl)n1C
InChIInChI=1S/C21H23ClN6O/c1-14-12-25-20(27(14)2)17-11-16(4-5-18(17)22)26-21(29)15-3-6-19(24-13-15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,26,29)
InChIKeyLWHDDQORVNRHLH-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.11
Rot. Bonds4

About N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 71025382) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID71025382
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(N4CCNCC4)nc3)ccc2Cl)n1C
InChIInChI=1S/C21H23ClN6O/c1-14-12-25-20(27(14)2)17-11-16(4-5-18(17)22)26-21(29)15-3-6-19(24-13-15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,26,29)
InChIKeyLWHDDQORVNRHLH-UHFFFAOYSA-N
XLogP3.11
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 71025360
6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71025359
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
CID 71025336
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
CID 143772018
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 58614726
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 118227108
N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 123950096

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide (CID 71025382) is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(N4CCNCC4)nc3)ccc2Cl)n1C.
What is the InChIKey of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is LWHDDQORVNRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-14-12-25-20(27(14)2)17-11-16(4-5-18(17)22)26-21(29)15-3-6-19(24-13-15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,26,29).
What are the key properties of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide?
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 71025382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).