1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C21H23N3O2 — CID 859258

IUPAC1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N3O2/c1-4-24-13-18(19(25)17-10-9-15(3)23-20(17)24)21(26)22-12-11-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyRMGPZHIWPKDMIM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.01
Rot. Bonds5

About 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 859258) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID859258
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N3O2/c1-4-24-13-18(19(25)17-10-9-15(3)23-20(17)24)21(26)22-12-11-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyRMGPZHIWPKDMIM-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lasmiditan
CID 11610526
2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-yn-1-yl)-N-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 67081200
(R)-2-amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-yn-1-yl)-N-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 71295845
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2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
1-methyl-4-oxo-N-pyridin-2-yl-1,4-dihydroquinoline-3-carboxamide
CID 5297270
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CID 464562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 859258) is 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCc2ccccc2C)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is RMGPZHIWPKDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24-13-18(19(25)17-10-9-15(3)23-20(17)24)21(26)22-12-11-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[2-(2-methylphenyl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 859258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).