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

C22H21ClN4O3 — CID 53147237

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl
InChIInChI=1S/C22H21ClN4O3/c1-29-19-11-20(30-2)18(10-16(19)23)26-22(28)27-9-8-17-15(13-27)12-24-21(25-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,28)
InChIKeyMBOLBXPOVJACPY-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.40
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147237) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147237
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl
InChIInChI=1S/C22H21ClN4O3/c1-29-19-11-20(30-2)18(10-16(19)23)26-22(28)27-9-8-17-15(13-27)12-24-21(25-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,28)
InChIKeyMBOLBXPOVJACPY-UHFFFAOYSA-N
XLogP4.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
CID 53147227
N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147239
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
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
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060376
(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147104
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147237) is N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1cc(OC)c(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is MBOLBXPOVJACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-29-19-11-20(30-2)18(10-16(19)23)26-22(28)27-9-8-17-15(13-27)12-24-21(25-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,28).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).