N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

C22H18BrN3O3 — CID 46339903

IUPACN-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O3/c1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyNUAWCNDVYDLDQO-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 46339903) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID46339903
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC NameN-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O3/c1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyNUAWCNDVYDLDQO-UHFFFAOYSA-N
XLogP4.04
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 20946798
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
CID 46339897
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 160853592
6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248825
6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248853
6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248733
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
6-[(4-chlorophenyl)methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248867
6-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 170306689
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
N-[(4-fluorophenyl)methyl]-7-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4209445

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (CID 46339903) is N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is NUAWCNDVYDLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 46339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).