N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C18H17N5O2 — CID 109209001

IUPACN-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C18H17N5O2/c19-12-14-1-3-15(4-2-14)21-18(25)17-11-16(5-6-20-17)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10H2,(H,21,25)
InChIKeySLAFLZAOQSZKEV-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.48
Rot. Bonds4

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

N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109209001) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109209001
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C18H17N5O2/c19-12-14-1-3-15(4-2-14)21-18(25)17-11-16(5-6-20-17)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10H2,(H,21,25)
InChIKeySLAFLZAOQSZKEV-UHFFFAOYSA-N
XLogP1.48
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109209001) is N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is SLAFLZAOQSZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-12-14-1-3-15(4-2-14)21-18(25)17-11-16(5-6-20-17)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10H2,(H,21,25).
What are the key properties of N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109209001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).