2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H26N6O — CID 25157643

IUPAC2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C#N)nc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-13-26-25(18-35)27(24-10-5-4-7-19(24)2)34-28(33-26)21-11-12-23(16-30)31-17-21/h4-12,15,17H,3,13-14,18H2,1-2H3,(H,32,36)
InChIKeyMOQCPMLTJOPUDF-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.54
Rot. Bonds4

About 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 25157643) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID25157643
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C#N)nc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-13-26-25(18-35)27(24-10-5-4-7-19(24)2)34-28(33-26)21-11-12-23(16-30)31-17-21/h4-12,15,17H,3,13-14,18H2,1-2H3,(H,32,36)
InChIKeyMOQCPMLTJOPUDF-UHFFFAOYSA-N
XLogP5.54
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

Ly-3009120
CID 71721540
1-Phenyl-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea
CID 10688595
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoisoquinoline, 15
CID 24863584
Aminoisoquinoline, 14
CID 44473103
(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
CID 155289199
2-(2-cyanopyrimidin-5-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54584537
1-Isoquinolin-8-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237098
1-Isoquinolin-5-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237326
4-(Isopropylamino)-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480459
4-(Isopropylamino)-6-phenyl-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480468
4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328329

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 25157643) is 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C#N)nc4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is MOQCPMLTJOPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-13-26-25(18-35)27(24-10-5-4-7-19(24)2)34-28(33-26)21-11-12-23(16-30)31-17-21/h4-12,15,17H,3,13-14,18H2,1-2H3,(H,32,36).
What are the key properties of 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25157643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).