N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C17H14BrN3O — CID 46909068

IUPACN-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeySELYGQRHWHBQLT-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.63
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46909068) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46909068
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeySELYGQRHWHBQLT-UHFFFAOYSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclohexylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909359
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 46908965
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908101
N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908099
2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 161431830
N-(2-hydroxyphenyl)-2-methyl-1,8-naphthyridine-3-carboxamide
CID 11380444
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619808
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46909068) is N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is SELYGQRHWHBQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).