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

C16H24N4O2 — CID 129330098

IUPAC7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCN1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C16H24N4O2/c1-3-19-8-5-4-6-14(19)16(22)20-9-7-12-13(10-20)17-11-18(2)15(12)21/h11,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyHKOZJMJUGGKMDT-AWEZNQCLSA-N
MW304.39 g/mol
LogP0.54
Rot. Bonds2

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

7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129330098) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129330098
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCN1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C16H24N4O2/c1-3-19-8-5-4-6-14(19)16(22)20-9-7-12-13(10-20)17-11-18(2)15(12)21/h11,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyHKOZJMJUGGKMDT-AWEZNQCLSA-N
XLogP0.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-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 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129330098) is 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCN1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HKOZJMJUGGKMDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-19-8-5-4-6-14(19)16(22)20-9-7-12-13(10-20)17-11-18(2)15(12)21/h11,14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129330098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).