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

C21H19N7O — CID 109174704

IUPACN-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C21H19N7O/c22-15-16-3-1-4-18(13-16)26-20(29)17-5-8-23-19(14-17)27-9-11-28(12-10-27)21-24-6-2-7-25-21/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyXCKRMCOIKGQKEN-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.32
Rot. Bonds4

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

N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109174704) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109174704
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C21H19N7O/c22-15-16-3-1-4-18(13-16)26-20(29)17-5-8-23-19(14-17)27-9-11-28(12-10-27)21-24-6-2-7-25-21/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyXCKRMCOIKGQKEN-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-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
3-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109238710
N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55539770
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124224
N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081935
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 109174704) is N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is N#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is XCKRMCOIKGQKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-15-16-3-1-4-18(13-16)26-20(29)17-5-8-23-19(14-17)27-9-11-28(12-10-27)21-24-6-2-7-25-21/h1-8,13-14H,9-12H2,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-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-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109174704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).