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

C30H30N4O — CID 54580588

IUPACN-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C30H30N4O/c1-4-22-11-8-13-24(18-22)31-30(35)34-16-15-27-26(19-34)28(25-14-6-5-10-21(25)3)33-29(32-27)23-12-7-9-20(2)17-23/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,31,35)
InChIKeyLMMOGINGTQYIKX-UHFFFAOYSA-N
MW462.60 g/mol
LogP6.58
Rot. Bonds4

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

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54580588) has the molecular formula C30H30N4O and a molecular weight of 462.60 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54580588
Molecular FormulaC30H30N4O
Molecular Weight462.60 g/mol
Exact Mass462.24
IUPAC NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C30H30N4O/c1-4-22-11-8-13-24(18-22)31-30(35)34-16-15-27-26(19-34)28(25-14-6-5-10-21(25)3)33-29(32-27)23-12-7-9-20(2)17-23/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,31,35)
InChIKeyLMMOGINGTQYIKX-UHFFFAOYSA-N
XLogP6.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 56.58
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-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54580588) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is LMMOGINGTQYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O/c1-4-22-11-8-13-24(18-22)31-30(35)34-16-15-27-26(19-34)28(25-14-6-5-10-21(25)3)33-29(32-27)23-12-7-9-20(2)17-23/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,31,35).
What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 6.58, 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-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54580588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).