1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one

C16H18N4O2 — CID 120729469

IUPAC1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2CCNCC2c2cccnc2)c1=O
InChIInChI=1S/C16H18N4O2/c1-19-8-3-5-13(15(19)21)16(22)20-9-7-18-11-14(20)12-4-2-6-17-10-12/h2-6,8,10,14,18H,7,9,11H2,1H3
InChIKeyPKTVLQAPXNMPBE-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one

1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 120729469) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID120729469
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2CCNCC2c2cccnc2)c1=O
InChIInChI=1S/C16H18N4O2/c1-19-8-3-5-13(15(19)21)16(22)20-9-7-18-11-14(20)12-4-2-6-17-10-12/h2-6,8,10,14,18H,7,9,11H2,1H3
InChIKeyPKTVLQAPXNMPBE-UHFFFAOYSA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 120732049
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729387
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
CID 120732596
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one (CID 120729469) is 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one is Cn1cccc(C(=O)N2CCNCC2c2cccnc2)c1=O.
What is the InChIKey of 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is PKTVLQAPXNMPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-8-3-5-13(15(19)21)16(22)20-9-7-18-11-14(20)12-4-2-6-17-10-12/h2-6,8,10,14,18H,7,9,11H2,1H3.
What are the key properties of 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one?
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 298.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 120729469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).