7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C16H16N4O3 — CID 173153405

IUPAC7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)c1
InChIInChI=1S/C16H16N4O3/c1-23-12-4-2-3-10(7-12)16(22)20-6-5-11-8-18-15(14(17)21)19-13(11)9-20/h2-4,7-8H,5-6,9H2,1H3,(H2,17,21)
InChIKeyYQJNEJPIYZKZEF-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.78
Rot. Bonds3

About 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153405) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153405
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)c1
InChIInChI=1S/C16H16N4O3/c1-23-12-4-2-3-10(7-12)16(22)20-6-5-11-8-18-15(14(17)21)19-13(11)9-20/h2-4,7-8H,5-6,9H2,1H3,(H2,17,21)
InChIKeyYQJNEJPIYZKZEF-UHFFFAOYSA-N
XLogP0.78
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
(3-methoxyphenyl)-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92599596
(3-methoxyphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608015
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407
1-[4-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549001
7-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153406
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
1-[(2S)-2-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92549157
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549825

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153405) is 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is COc1cccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)c1.
What is the InChIKey of 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is YQJNEJPIYZKZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-12-4-2-3-10(7-12)16(22)20-6-5-11-8-18-15(14(17)21)19-13(11)9-20/h2-4,7-8H,5-6,9H2,1H3,(H2,17,21).
What are the key properties of 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).