1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one

C14H15N5O2 — CID 121187305

IUPAC1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CC(Nc3ncccn3)C2)c1=O
InChIInChI=1S/C14H15N5O2/c1-18-7-2-4-11(12(18)20)13(21)19-8-10(9-19)17-14-15-5-3-6-16-14/h2-7,10H,8-9H2,1H3,(H,15,16,17)
InChIKeyUODHOYWKUZADHM-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.11
Rot. Bonds3

About 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one

1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one (PubChem CID 121187305) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
PubChem CID121187305
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CC(Nc3ncccn3)C2)c1=O
InChIInChI=1S/C14H15N5O2/c1-18-7-2-4-11(12(18)20)13(21)19-8-10(9-19)17-14-15-5-3-6-16-14/h2-7,10H,8-9H2,1H3,(H,15,16,17)
InChIKeyUODHOYWKUZADHM-UHFFFAOYSA-N
XLogP0.11
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 121020982
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187299
1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 120742435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one (CID 121187305) is 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one is Cn1cccc(C(=O)N2CC(Nc3ncccn3)C2)c1=O.
What is the InChIKey of 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one?
The InChIKey is UODHOYWKUZADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-7-2-4-11(12(18)20)13(21)19-8-10(9-19)17-14-15-5-3-6-16-14/h2-7,10H,8-9H2,1H3,(H,15,16,17).
What are the key properties of 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one?
1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one has a molecular weight of 285.31 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 121187305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).