N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C22H25N3O3 — CID 7620423

IUPACN-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H25N3O3/c1-3-28-13-5-12-24-21(26)19-14-18-6-4-11-23-20(18)25(22(19)27)15-17-9-7-16(2)8-10-17/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyMNCHWJKNYFOEAQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.91
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620423) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620423
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H25N3O3/c1-3-28-13-5-12-24-21(26)19-14-18-6-4-11-23-20(18)25(22(19)27)15-17-9-7-16(2)8-10-17/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyMNCHWJKNYFOEAQ-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996348
1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
CID 7620684
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
N-[2-(3-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996030
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
1-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621175
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619808

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620423) is N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CCOCCCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MNCHWJKNYFOEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-13-5-12-24-21(26)19-14-18-6-4-11-23-20(18)25(22(19)27)15-17-9-7-16(2)8-10-17/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).