N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C22H20N6O — CID 109216287

IUPACN-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ccn2)cc1
InChIInChI=1S/C22H20N6O/c23-16-17-4-6-18(7-5-17)26-22(29)20-15-19(8-10-24-20)27-11-13-28(14-12-27)21-3-1-2-9-25-21/h1-10,15H,11-14H2,(H,26,29)
InChIKeyQNTYURRINNJNIK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.93
Rot. Bonds4

About N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109216287) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109216287
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ccn2)cc1
InChIInChI=1S/C22H20N6O/c23-16-17-4-6-18(7-5-17)26-22(29)20-15-19(8-10-24-20)27-11-13-28(14-12-27)21-3-1-2-9-25-21/h1-10,15H,11-14H2,(H,26,29)
InChIKeyQNTYURRINNJNIK-UHFFFAOYSA-N
XLogP2.93
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124224
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109216287) is N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ccn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is QNTYURRINNJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-16-17-4-6-18(7-5-17)26-22(29)20-15-19(8-10-24-20)27-11-13-28(14-12-27)21-3-1-2-9-25-21/h1-10,15H,11-14H2,(H,26,29).
What are the key properties of N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109216287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).