N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C21H19N7O — CID 109160656

IUPACN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H19N7O/c22-14-16-4-1-2-5-18(16)26-20(29)17-6-7-19(25-15-17)27-10-12-28(13-11-27)21-23-8-3-9-24-21/h1-9,15H,10-13H2,(H,26,29)
InChIKeyJRPQXAQSNPUOHB-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.32
Rot. Bonds4

About N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109160656) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109160656
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H19N7O/c22-14-16-4-1-2-5-18(16)26-20(29)17-6-7-19(25-15-17)27-10-12-28(13-11-27)21-23-8-3-9-24-21/h1-9,15H,10-13H2,(H,26,29)
InChIKeyJRPQXAQSNPUOHB-UHFFFAOYSA-N
XLogP2.32
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501653
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299125

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109160656) is N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is JRPQXAQSNPUOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-14-16-4-1-2-5-18(16)26-20(29)17-6-7-19(25-15-17)27-10-12-28(13-11-27)21-23-8-3-9-24-21/h1-9,15H,10-13H2,(H,26,29).
What are the key properties of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109160656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).