N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H16N4O3 — CID 142865364

IUPACN-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C#N)cc2C=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H16N4O3/c1-3-24-10-16(18(26)15-6-4-12(2)22-19(15)24)20(27)23-17-7-5-13(9-21)8-14(17)11-25/h4-8,10-11H,3H2,1-2H3,(H,23,27)
InChIKeyXSPSFRFMKQVLLE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.66
Rot. Bonds4

About N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 142865364) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID142865364
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C#N)cc2C=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H16N4O3/c1-3-24-10-16(18(26)15-6-4-12(2)22-19(15)24)20(27)23-17-7-5-13(9-21)8-14(17)11-25/h4-8,10-11H,3H2,1-2H3,(H,23,27)
InChIKeyXSPSFRFMKQVLLE-UHFFFAOYSA-N
XLogP2.66
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoic acid;ethyl 2-amino-5-cyanobenzoate;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride
CID 158835509
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 45278452
1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11511882
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 654366
N-[(3,5-dimethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 1457746

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 142865364) is N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C#N)cc2C=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XSPSFRFMKQVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-3-24-10-16(18(26)15-6-4-12(2)22-19(15)24)20(27)23-17-7-5-13(9-21)8-14(17)11-25/h4-8,10-11H,3H2,1-2H3,(H,23,27).
What are the key properties of N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-formylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 142865364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).