N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

C23H21N5O — CID 109159609

IUPACN-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C23H21N5O/c24-16-18-5-4-6-20(15-18)26-23(29)19-9-10-22(25-17-19)28-13-11-27(12-14-28)21-7-2-1-3-8-21/h1-10,15,17H,11-14H2,(H,26,29)
InChIKeyRYWLZHSJKKPUMG-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.53
Rot. Bonds4

About N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109159609) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109159609
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C23H21N5O/c24-16-18-5-4-6-20(15-18)26-23(29)19-9-10-22(25-17-19)28-13-11-27(12-14-28)21-7-2-1-3-8-21/h1-10,15,17H,11-14H2,(H,26,29)
InChIKeyRYWLZHSJKKPUMG-UHFFFAOYSA-N
XLogP3.53
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 109159609) is N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is RYWLZHSJKKPUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-16-18-5-4-6-20(15-18)26-23(29)19-9-10-22(25-17-19)28-13-11-27(12-14-28)21-7-2-1-3-8-21/h1-10,15,17H,11-14H2,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).