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

C22H20N6O — CID 109174626

IUPACN-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ccccn4)CC3)c2)c1
InChIInChI=1S/C22H20N6O/c23-16-17-4-3-5-19(14-17)26-22(29)18-7-9-25-21(15-18)28-12-10-27(11-13-28)20-6-1-2-8-24-20/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyUXPHRBAZBCXEOA-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.93
Rot. Bonds4

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

N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109174626) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109174626
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ccccn4)CC3)c2)c1
InChIInChI=1S/C22H20N6O/c23-16-17-4-3-5-19(14-17)26-22(29)18-7-9-25-21(15-18)28-12-10-27(11-13-28)20-6-1-2-8-24-20/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyUXPHRBAZBCXEOA-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-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117086871
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
3-cyano-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 95100216
3-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353175

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 109174626) is N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is N#Cc1cccc(NC(=O)c2ccnc(N3CCN(c4ccccn4)CC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is UXPHRBAZBCXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-16-17-4-3-5-19(14-17)26-22(29)18-7-9-25-21(15-18)28-12-10-27(11-13-28)20-6-1-2-8-24-20/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-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-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109174626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).