3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C17H26N4O2 — CID 129337469

IUPAC3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C17H26N4O2/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeySHVHGLMMQJROJW-HNNXBMFYSA-N
MW318.42 g/mol
LogP0.93
Rot. Bonds2

About 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129337469) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129337469
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C17H26N4O2/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeySHVHGLMMQJROJW-HNNXBMFYSA-N
XLogP0.93
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethyl-7-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126804739
3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129344976
3-ethyl-7-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129344977
2,3-dimethyl-7-[(2-oxopiperidin-1-yl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50967734
N,N-diethyl-2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 136907841
3-(2-Oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483484
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483835
N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483887
3-(2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl)-5,6-dimethylpyrimidin-4(3H)-one
CID 121187046
2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide
CID 126807302
N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 127890835
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 128968566

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129337469) is 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(C)N1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SHVHGLMMQJROJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)21-8-5-4-6-15(21)17(23)20-9-7-13-14(10-20)18-11-19(3)16(13)22/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129337469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).