N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

C17H14BrN3O2 — CID 112707495

IUPACN-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)NCc3ccc(Br)cc3)c[nH]c2n1
InChIInChI=1S/C17H14BrN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyIBLIOCSATBNHAW-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.92
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 112707495) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID112707495
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)NCc3ccc(Br)cc3)c[nH]c2n1
InChIInChI=1S/C17H14BrN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyIBLIOCSATBNHAW-UHFFFAOYSA-N
XLogP2.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 87002233
N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
N-(3,4-dimethylphenyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 53087024
7-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 126578263
N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 10802802
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 59877154
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106
6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171835152

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 112707495) is N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is Cc1ccc2c(=O)c(C(=O)NCc3ccc(Br)cc3)c[nH]c2n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is IBLIOCSATBNHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 112707495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).