2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

C19H28N4O3 — CID 128968566

IUPAC2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N(C)C3CCCCC3C)c2=O)C1
InChIInChI=1S/C19H28N4O3/c1-13-6-4-5-7-17(13)21(3)18(25)11-23-12-20-16-10-22(14(2)24)9-8-15(16)19(23)26/h12-13,17H,4-11H2,1-3H3
InChIKeyIDEKOUQYCDAPDY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.18
Rot. Bonds3

About 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 128968566) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID128968566
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N(C)C3CCCCC3C)c2=O)C1
InChIInChI=1S/C19H28N4O3/c1-13-6-4-5-7-17(13)21(3)18(25)11-23-12-20-16-10-22(14(2)24)9-8-15(16)19(23)26/h12-13,17H,4-11H2,1-3H3
InChIKeyIDEKOUQYCDAPDY-UHFFFAOYSA-N
XLogP1.18
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100664186
7-(cyclohexylmethyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100765292
N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 127890835
7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 127971823
7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128836975
7-acetyl-3-[(4,4-dimethylcyclohexyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128965207
7-acetyl-3-(2-ethylhexyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128965604
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide
CID 128970020
3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 128973013
3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
CID 128990766
3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128990767
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide
CID 128991744

Frequently Asked Questions

What is the IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 128968566) is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is CC(=O)N1CCc2c(ncn(CC(=O)N(C)C3CCCCC3C)c2=O)C1.
What is the InChIKey of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is IDEKOUQYCDAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-6-4-5-7-17(13)21(3)18(25)11-23-12-20-16-10-22(14(2)24)9-8-15(16)19(23)26/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 128968566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).