5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C19H23N5O2 — CID 97155188

IUPAC5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC[C@H]1CCCCN1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1
InChIInChI=1S/C19H23N5O2/c1-13-6-3-5-9-24(13)14-11-23(12-14)19(26)15-10-21-17(22-18(15)25)16-7-2-4-8-20-16/h2,4,7-8,10,13-14H,3,5-6,9,11-12H2,1H3,(H,21,22,25)/t13-/m0/s1
InChIKeyYYZNKVZDJSJTKX-ZDUSSCGKSA-N
MW353.43 g/mol
LogP1.53
Rot. Bonds3

About 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 97155188) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID97155188
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC[C@H]1CCCCN1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1
InChIInChI=1S/C19H23N5O2/c1-13-6-3-5-9-24(13)14-11-23(12-14)19(26)15-10-21-17(22-18(15)25)16-7-2-4-8-20-16/h2,4,7-8,10,13-14H,3,5-6,9,11-12H2,1H3,(H,21,22,25)/t13-/m0/s1
InChIKeyYYZNKVZDJSJTKX-ZDUSSCGKSA-N
XLogP1.53
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(4-methylphenyl)-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97141903
5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 133121935
5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97132026
5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 162632260
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
CID 126452632
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858546
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 97155188) is 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is C[C@H]1CCCCN1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1.
What is the InChIKey of 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is YYZNKVZDJSJTKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-6-3-5-9-24(13)14-11-23(12-14)19(26)15-10-21-17(22-18(15)25)16-7-2-4-8-20-16/h2,4,7-8,10,13-14H,3,5-6,9,11-12H2,1H3,(H,21,22,25)/t13-/m0/s1.
What are the key properties of 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 353.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 97155188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).