7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C19H21N3O2 — CID 112524044

IUPAC7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc3c2CCN(C(C)=O)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-3-14-4-6-16(7-5-14)21-19(24)18-11-20-10-15-12-22(13(2)23)9-8-17(15)18/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyNEQJUSKKNDXVAQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.80
Rot. Bonds3

About 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112524044) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112524044
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc3c2CCN(C(C)=O)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-3-14-4-6-16(7-5-14)21-19(24)18-11-20-10-15-12-22(13(2)23)9-8-17(15)18/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyNEQJUSKKNDXVAQ-UHFFFAOYSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
7-acetyl-N-[4-(aminomethyl)phenyl]sulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521938
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523914
7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528023
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112531749

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112524044) is 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CCc1ccc(NC(=O)c2cncc3c2CCN(C(C)=O)C3)cc1.
What is the InChIKey of 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is NEQJUSKKNDXVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14-4-6-16(7-5-14)21-19(24)18-11-20-10-15-12-22(13(2)23)9-8-17(15)18/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112524044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).