N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide

C12H13N3O4 — CID 141351908

IUPACN-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1
InChIInChI=1S/C12H13N3O4/c1-19-5-4-14-10(16)8-6-7-2-3-13-11(17)9(7)12(18)15-8/h2-3,6H,4-5H2,1H3,(H,13,17)(H,14,16)(H,15,18)
InChIKeyKPJHIUKZXFGNQK-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.41
Rot. Bonds4

About N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide

N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide (PubChem CID 141351908) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide
PubChem CID141351908
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1
InChIInChI=1S/C12H13N3O4/c1-19-5-4-14-10(16)8-6-7-2-3-13-11(17)9(7)12(18)15-8/h2-3,6H,4-5H2,1H3,(H,13,17)(H,14,16)(H,15,18)
InChIKeyKPJHIUKZXFGNQK-UHFFFAOYSA-N
XLogP-0.41
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide (CID 141351908) is N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide is COCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The InChIKey is KPJHIUKZXFGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-5-4-14-10(16)8-6-7-2-3-13-11(17)9(7)12(18)15-8/h2-3,6H,4-5H2,1H3,(H,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,8-dioxo-2,7-dihydro-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 141351908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).