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

C15H13FN4O2 — CID 173153608

IUPAC7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21)
InChIKeyDDUALHTWMYXINU-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.91
Rot. Bonds2

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

7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153608) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153608
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21)
InChIKeyDDUALHTWMYXINU-UHFFFAOYSA-N
XLogP0.91
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-fluorobenzoyl)-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-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153405
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
7-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153406
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549000
7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153673
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
1-[2-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549796
(3-fluorophenyl)-[2-methyl-4-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788599
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153662

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153608) is 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is DDUALHTWMYXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21).
What are the key properties of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).