N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide

C17H16ClN5O — CID 2746538

IUPACN-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H16ClN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24)
InChIKeyBNDJWDAKHPVBQP-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.96
Rot. Bonds2

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

N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 2746538) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
PubChem CID2746538
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H16ClN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24)
InChIKeyBNDJWDAKHPVBQP-UHFFFAOYSA-N
XLogP2.96
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
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
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420694
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (CID 2746538) is N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is BNDJWDAKHPVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 2746538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).