4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one

C21H20N4O2 — CID 172661996

IUPAC4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c1-15-7-10-24(12-16-5-4-8-22-11-16)20(26)19(15)21(27)25-13-17(14-25)18-6-2-3-9-23-18/h2-11,17H,12-14H2,1H3
InChIKeyZSSZOMJGSXFLAF-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.23
Rot. Bonds4

About 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one

4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 172661996) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID172661996
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c1-15-7-10-24(12-16-5-4-8-22-11-16)20(26)19(15)21(27)25-13-17(14-25)18-6-2-3-9-23-18/h2-11,17H,12-14H2,1H3
InChIKeyZSSZOMJGSXFLAF-UHFFFAOYSA-N
XLogP2.23
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661390
1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 172673002
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
2-(2-methylbenzoyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131679915
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 172671758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 172661996) is 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CC(c2ccccn2)C1.
What is the InChIKey of 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is ZSSZOMJGSXFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-7-10-24(12-16-5-4-8-22-11-16)20(26)19(15)21(27)25-13-17(14-25)18-6-2-3-9-23-18/h2-11,17H,12-14H2,1H3.
What are the key properties of 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 172661996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).