N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H19N3O4 — CID 653961

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-3-23-10-15(18(24)14-6-4-12(2)22-19(14)23)20(25)21-9-13-5-7-16-17(8-13)27-11-26-16/h4-8,10H,3,9,11H2,1-2H3,(H,21,25)
InChIKeyXIRFXLPYWIFNQL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.38
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 653961) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID653961
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-3-23-10-15(18(24)14-6-4-12(2)22-19(14)23)20(25)21-9-13-5-7-16-17(8-13)27-11-26-16/h4-8,10H,3,9,11H2,1-2H3,(H,21,25)
InChIKeyXIRFXLPYWIFNQL-UHFFFAOYSA-N
XLogP2.38
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 653961) is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XIRFXLPYWIFNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-23-10-15(18(24)14-6-4-12(2)22-19(14)23)20(25)21-9-13-5-7-16-17(8-13)27-11-26-16/h4-8,10H,3,9,11H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.38, 4 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-ylmethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 653961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).