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

C33H30N4O — CID 54580589

IUPACN-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C33H30N4O/c1-3-23-10-8-13-27(19-23)34-33(38)37-18-17-30-29(21-37)31(28-14-7-4-9-22(28)2)36-32(35-30)26-16-15-24-11-5-6-12-25(24)20-26/h4-16,19-20H,3,17-18,21H2,1-2H3,(H,34,38)
InChIKeyFKLJREZAGWNJAW-UHFFFAOYSA-N
MW498.63 g/mol
LogP7.42
Rot. Bonds4

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

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54580589) has the molecular formula C33H30N4O and a molecular weight of 498.63 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54580589
Molecular FormulaC33H30N4O
Molecular Weight498.63 g/mol
Exact Mass498.24
IUPAC NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C33H30N4O/c1-3-23-10-8-13-27(19-23)34-33(38)37-18-17-30-29(21-37)31(28-14-7-4-9-22(28)2)36-32(35-30)26-16-15-24-11-5-6-12-25(24)20-26/h4-16,19-20H,3,17-18,21H2,1-2H3,(H,34,38)
InChIKeyFKLJREZAGWNJAW-UHFFFAOYSA-N
XLogP7.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 57.42
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-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54580589) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is FKLJREZAGWNJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O/c1-3-23-10-8-13-27(19-23)34-33(38)37-18-17-30-29(21-37)31(28-14-7-4-9-22(28)2)36-32(35-30)26-16-15-24-11-5-6-12-25(24)20-26/h4-16,19-20H,3,17-18,21H2,1-2H3,(H,34,38).
What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 7.42, 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-naphthalen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54580589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).