N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

C24H26N4O2 — CID 135622631

IUPACN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)c1
InChIInChI=1S/C24H26N4O2/c1-15-5-4-6-18(11-15)13-22-26-21-9-10-28(14-20(21)23(29)27-22)24(30)25-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyWGFVXQQZRXCVMD-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.88
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 135622631) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID135622631
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)c1
InChIInChI=1S/C24H26N4O2/c1-15-5-4-6-18(11-15)13-22-26-21-9-10-28(14-20(21)23(29)27-22)24(30)25-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyWGFVXQQZRXCVMD-UHFFFAOYSA-N
XLogP3.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135772116
6-(4-methylbenzoyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135482009
6-[(2S)-2-hydroxypropyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816626
6-(2-hydroxypropyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135473884
N-butyl-4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135460166
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135575602
6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619248
6-butanoyl-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135772124
ethyl 2-[[2-[(3-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 135543299
N-(2,6-dimethylphenyl)-4-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135408869
6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593482
2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42785892

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (CID 135622631) is N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WGFVXQQZRXCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-5-4-6-18(11-15)13-22-26-21-9-10-28(14-20(21)23(29)27-22)24(30)25-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,30)(H,26,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135622631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).