methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate

C22H20N4O3 — CID 53147227

IUPACmethyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C22H20N4O3/c1-29-21(27)17-9-5-6-10-19(17)25-22(28)26-12-11-18-16(14-26)13-23-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,25,28)
InChIKeySEDDDLCZASPGMN-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.52
Rot. Bonds3

About methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate

methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate (PubChem CID 53147227) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
PubChem CID53147227
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C22H20N4O3/c1-29-21(27)17-9-5-6-10-19(17)25-22(28)26-12-11-18-16(14-26)13-23-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,25,28)
InChIKeySEDDDLCZASPGMN-UHFFFAOYSA-N
XLogP3.52
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147239
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147237
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147150
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131
(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147104
N-(3-bromophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147195
methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetyl]amino]benzoate
CID 108512427
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086
N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53014130
6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid
CID 83919128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate (CID 53147227) is methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate?
The InChIKey is SEDDDLCZASPGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-29-21(27)17-9-5-6-10-19(17)25-22(28)26-12-11-18-16(14-26)13-23-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,25,28).
What are the key properties of methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate?
methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate has a molecular weight of 388.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate is sourced from PubChem (CID 53147227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).