N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

C22H21ClN4O — CID 109193461

IUPACN-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H21ClN4O/c23-17-6-8-18(9-7-17)25-22(28)21-11-10-20(16-24-21)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,25,28)
InChIKeyNVGVPSADMQPCRB-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.31
Rot. Bonds4

About N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109193461) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109193461
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H21ClN4O/c23-17-6-8-18(9-7-17)25-22(28)21-11-10-20(16-24-21)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,25,28)
InChIKeyNVGVPSADMQPCRB-UHFFFAOYSA-N
XLogP4.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109193461) is N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is NVGVPSADMQPCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-6-8-18(9-7-17)25-22(28)21-11-10-20(16-24-21)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).