(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C15H15ClN4O — CID 120730350

IUPAC(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H15ClN4O/c16-13-9-18-5-3-12(13)15(21)20-7-6-19-10-14(20)11-2-1-4-17-8-11/h1-5,8-9,14,19H,6-7,10H2
InChIKeyARROZSCDOHUEEX-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.92
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120730350) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120730350
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H15ClN4O/c16-13-9-18-5-3-12(13)15(21)20-7-6-19-10-14(20)11-2-1-4-17-8-11/h1-5,8-9,14,19H,6-7,10H2
InChIKeyARROZSCDOHUEEX-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731504
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728895
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729387

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120730350) is (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(c1ccncc1Cl)N1CCNCC1c1cccnc1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is ARROZSCDOHUEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-13-9-18-5-3-12(13)15(21)20-7-6-19-10-14(20)11-2-1-4-17-8-11/h1-5,8-9,14,19H,6-7,10H2.
What are the key properties of (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 302.76 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120730350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).