1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C15H19N3O3 — CID 11087497

IUPAC1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCCO)c(=O)c2ccc(C)nc21
InChIInChI=1S/C15H19N3O3/c1-3-18-9-12(15(21)16-7-4-8-19)13(20)11-6-5-10(2)17-14(11)18/h5-6,9,19H,3-4,7-8H2,1-2H3,(H,16,21)
InChIKeyMTUDMSUJIRZUIV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.84
Rot. Bonds5

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

1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 11087497) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID11087497
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCCO)c(=O)c2ccc(C)nc21
InChIInChI=1S/C15H19N3O3/c1-3-18-9-12(15(21)16-7-4-8-19)13(20)11-6-5-10(2)17-14(11)18/h5-6,9,19H,3-4,7-8H2,1-2H3,(H,16,21)
InChIKeyMTUDMSUJIRZUIV-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90620663
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
CID 90588663
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4285783
N-[(3,5-dimethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 1457746
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 100907336
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 11087497) is 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCCO)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MTUDMSUJIRZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18-9-12(15(21)16-7-4-8-19)13(20)11-6-5-10(2)17-14(11)18/h5-6,9,19H,3-4,7-8H2,1-2H3,(H,16,21).
What are the key properties of 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11087497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).