6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide

C18H25N3O3 — CID 45106813

IUPAC6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOCCn1ccc2nc(C)c(C(=O)NCCC(C)C)cc2c1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)5-7-19-17(22)14-11-15-16(20-13(14)3)6-8-21(18(15)23)9-10-24-4/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,19,22)
InChIKeyNVZVBGOJOPOIKB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.13
Rot. Bonds7

About 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide

6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 45106813) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID45106813
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOCCn1ccc2nc(C)c(C(=O)NCCC(C)C)cc2c1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)5-7-19-17(22)14-11-15-16(20-13(14)3)6-8-21(18(15)23)9-10-24-4/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,19,22)
InChIKeyNVZVBGOJOPOIKB-UHFFFAOYSA-N
XLogP2.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide (CID 45106813) is 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide is COCCn1ccc2nc(C)c(C(=O)NCCC(C)C)cc2c1=O.
What is the InChIKey of 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is NVZVBGOJOPOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)5-7-19-17(22)14-11-15-16(20-13(14)3)6-8-21(18(15)23)9-10-24-4/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,19,22).
What are the key properties of 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-methyl-N-(3-methylbutyl)-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 45106813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).