N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C17H13N3O4 — CID 7619555

IUPACN-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCO3)cc2cccnc21
InChIInChI=1S/C17H13N3O4/c1-20-15-10(3-2-6-18-15)7-12(17(20)22)16(21)19-11-4-5-13-14(8-11)24-9-23-13/h2-8H,9H2,1H3,(H,19,21)
InChIKeyWVULIEFVTUXZKJ-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.91
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619555) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619555
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCO3)cc2cccnc21
InChIInChI=1S/C17H13N3O4/c1-20-15-10(3-2-6-18-15)7-12(17(20)22)16(21)19-11-4-5-13-14(8-11)24-9-23-13/h2-8H,9H2,1H3,(H,19,21)
InChIKeyWVULIEFVTUXZKJ-UHFFFAOYSA-N
XLogP1.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620568
N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619564
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844227
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330122

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619555) is N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccc3c(c2)OCO3)cc2cccnc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WVULIEFVTUXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-20-15-10(3-2-6-18-15)7-12(17(20)22)16(21)19-11-4-5-13-14(8-11)24-9-23-13/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).