N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide

C27H27N3O2 — CID 10071073

IUPACN-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)N(C)Cc3cc(C)cc(C)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-17-8-10-21(11-9-17)23-22-7-6-12-28-24(22)26(31)30(5)25(23)27(32)29(4)16-20-14-18(2)13-19(3)15-20/h6-15H,16H2,1-5H3
InChIKeyWURNQCAQSFGZBA-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.80
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide

N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 10071073) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID10071073
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)N(C)Cc3cc(C)cc(C)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-17-8-10-21(11-9-17)23-22-7-6-12-28-24(22)26(31)30(5)25(23)27(32)29(4)16-20-14-18(2)13-19(3)15-20/h6-15H,16H2,1-5H3
InChIKeyWURNQCAQSFGZBA-UHFFFAOYSA-N
XLogP4.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide (CID 10071073) is N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide is Cc1ccc(-c2c(C(=O)N(C)Cc3cc(C)cc(C)c3)n(C)c(=O)c3ncccc23)cc1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is WURNQCAQSFGZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-17-8-10-21(11-9-17)23-22-7-6-12-28-24(22)26(31)30(5)25(23)27(32)29(4)16-20-14-18(2)13-19(3)15-20/h6-15H,16H2,1-5H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 10071073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).