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

C29H28N4O — CID 54582585

IUPACN-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H28N4O/c1-3-21-11-9-14-23(18-21)30-29(34)33-17-16-26-25(19-33)27(24-15-8-7-10-20(24)2)32-28(31-26)22-12-5-4-6-13-22/h4-15,18H,3,16-17,19H2,1-2H3,(H,30,34)
InChIKeyQZDVQNLXGCAQCA-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.27
Rot. Bonds4

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

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54582585) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54582585
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C29H28N4O/c1-3-21-11-9-14-23(18-21)30-29(34)33-17-16-26-25(19-33)27(24-15-8-7-10-20(24)2)32-28(31-26)22-12-5-4-6-13-22/h4-15,18H,3,16-17,19H2,1-2H3,(H,30,34)
InChIKeyQZDVQNLXGCAQCA-UHFFFAOYSA-N
XLogP6.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54582585) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is QZDVQNLXGCAQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-3-21-11-9-14-23(18-21)30-29(34)33-17-16-26-25(19-33)27(24-15-8-7-10-20(24)2)32-28(31-26)22-12-5-4-6-13-22/h4-15,18H,3,16-17,19H2,1-2H3,(H,30,34).
What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).