N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide

C23H19N3O2 — CID 167873021

IUPACN-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc3cnccc3n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-10-8-19(9-11-20)26(16-17-5-3-2-4-6-17)23(27)22-12-7-18-15-24-14-13-21(18)25-22/h2-15H,16H2,1H3
InChIKeyRFODRARKYLPZLO-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.49
Rot. Bonds5

About N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide

N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 167873021) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
PubChem CID167873021
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc3cnccc3n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-10-8-19(9-11-20)26(16-17-5-3-2-4-6-17)23(27)22-12-7-18-15-24-14-13-21(18)25-22/h2-15H,16H2,1H3
InChIKeyRFODRARKYLPZLO-UHFFFAOYSA-N
XLogP4.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide (CID 167873021) is N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide is COc1ccc(N(Cc2ccccc2)C(=O)c2ccc3cnccc3n2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is RFODRARKYLPZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-10-8-19(9-11-20)26(16-17-5-3-2-4-6-17)23(27)22-12-7-18-15-24-14-13-21(18)25-22/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide?
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167873021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).