N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide

C22H17N3O — CID 10854569

IUPACN-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2cccnc2nc1-c1ccccc1
InChIInChI=1S/C22H17N3O/c1-15-8-5-6-12-19(15)24-22(26)18-14-17-11-7-13-23-21(17)25-20(18)16-9-3-2-4-10-16/h2-14H,1H3,(H,24,26)
InChIKeyBONMVJIWPGHHNA-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

About N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide

N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 10854569) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID10854569
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2cccnc2nc1-c1ccccc1
InChIInChI=1S/C22H17N3O/c1-15-8-5-6-12-19(15)24-22(26)18-14-17-11-7-13-23-21(17)25-20(18)16-9-3-2-4-10-16/h2-14H,1H3,(H,24,26)
InChIKeyBONMVJIWPGHHNA-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide (CID 10854569) is N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cc2cccnc2nc1-c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is BONMVJIWPGHHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-8-5-6-12-19(15)24-22(26)18-14-17-11-7-13-23-21(17)25-20(18)16-9-3-2-4-10-16/h2-14H,1H3,(H,24,26).
What are the key properties of N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide?
N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10854569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).