N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C16H17ClN4O — CID 752316

IUPACN-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClN4O/c17-13-5-1-2-6-14(13)19-16(22)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2,(H,19,22)
InChIKeyQMRKKVWYXAWCLT-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.09
Rot. Bonds2

About N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 752316) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID752316
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClN4O/c17-13-5-1-2-6-14(13)19-16(22)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2,(H,19,22)
InChIKeyQMRKKVWYXAWCLT-UHFFFAOYSA-N
XLogP3.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
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N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
Bisanilinopyrimidine, 9h
CID 70702155
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
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1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
1-(2-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
CID 894930
N-(3,4-dichlorophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
CID 1326396
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 752316) is N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is QMRKKVWYXAWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-5-1-2-6-14(13)19-16(22)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 752316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).