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

C22H22N4O2 — CID 53147239

IUPACN-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C22H22N4O2/c1-2-28-20-11-7-6-10-19(20)25-22(27)26-13-12-18-17(15-26)14-23-21(24-18)16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,27)
InChIKeySOYLRTKBLVOUMD-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds4

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

N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147239) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147239
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C22H22N4O2/c1-2-28-20-11-7-6-10-19(20)25-22(27)26-13-12-18-17(15-26)14-23-21(24-18)16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,27)
InChIKeySOYLRTKBLVOUMD-UHFFFAOYSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-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

methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
CID 53147227
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147237
N-(2-ethoxyphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666196
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147150
6-[(2-ethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929368
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
6-[(3,4-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929977
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(3-bromophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147195

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147239) is N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SOYLRTKBLVOUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-28-20-11-7-6-10-19(20)25-22(27)26-13-12-18-17(15-26)14-23-21(24-18)16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).