1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one

C19H23N5O2 — CID 154855635

IUPAC1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one
SMILESCc1nccc(NC2CC3CN(C(=O)c4cc(C)c(=O)n(C)c4)CC32)n1
InChIInChI=1S/C19H23N5O2/c1-11-6-14(8-23(3)18(11)25)19(26)24-9-13-7-16(15(13)10-24)22-17-4-5-20-12(2)21-17/h4-6,8,13,15-16H,7,9-10H2,1-3H3,(H,20,21,22)
InChIKeyZCDNIUDXFOQLAH-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.36
Rot. Bonds3

About 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one

1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one (PubChem CID 154855635) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one
PubChem CID154855635
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one
SMILESCc1nccc(NC2CC3CN(C(=O)c4cc(C)c(=O)n(C)c4)CC32)n1
InChIInChI=1S/C19H23N5O2/c1-11-6-14(8-23(3)18(11)25)19(26)24-9-13-7-16(15(13)10-24)22-17-4-5-20-12(2)21-17/h4-6,8,13,15-16H,7,9-10H2,1-3H3,(H,20,21,22)
InChIKeyZCDNIUDXFOQLAH-UHFFFAOYSA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one with MolForge

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Related Compounds

1-[4-[(3R,4S)-3-cyclopropyl-4-[(2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 133122660
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967
[(3aR,4R,7aS)-4-[(2-methylpyrimidin-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-pyridin-4-ylmethanone
CID 110138488
2-[(3aR,5R,6R,7aS)-5-methoxy-6-(pyridin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1,6-dimethylpyridin-4-one
CID 172663239
[(3aR,5R,6R,7aS)-5-methoxy-6-(pyridin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 172655558
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110143448
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
[(3aR,5R,6R,7aS)-5-hydroxy-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-propoxyphenyl)methanone
CID 172668087
[2-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]amino]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 70744470
[(3aR,5R,6R,7aS)-5-methoxy-6-(pyridin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
CID 172664944
2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
CID 126834756

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one (CID 154855635) is 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one is Cc1nccc(NC2CC3CN(C(=O)c4cc(C)c(=O)n(C)c4)CC32)n1.
What is the InChIKey of 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one?
The InChIKey is ZCDNIUDXFOQLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-6-14(8-23(3)18(11)25)19(26)24-9-13-7-16(15(13)10-24)22-17-4-5-20-12(2)21-17/h4-6,8,13,15-16H,7,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one?
1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-[(2-methylpyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptane-3-carbonyl]pyridin-2-one is sourced from PubChem (CID 154855635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).