4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide

C17H17N5O — CID 2746537

IUPAC4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C17H17N5O/c18-12-14-6-7-16(19-13-14)21-8-10-22(11-9-21)17(23)20-15-4-2-1-3-5-15/h1-7,13H,8-11H2,(H,20,23)
InChIKeyMCWOJRBAHATSFY-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.31
Rot. Bonds2

About 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 2746537) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
PubChem CID2746537
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C17H17N5O/c18-12-14-6-7-16(19-13-14)21-8-10-22(11-9-21)17(23)20-15-4-2-1-3-5-15/h1-7,13H,8-11H2,(H,20,23)
InChIKeyMCWOJRBAHATSFY-UHFFFAOYSA-N
XLogP2.31
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide (CID 2746537) is 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is MCWOJRBAHATSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-12-14-6-7-16(19-13-14)21-8-10-22(11-9-21)17(23)20-15-4-2-1-3-5-15/h1-7,13H,8-11H2,(H,20,23).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).