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

C18H19N3O2 — CID 112521061

IUPAC7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)20-18(23)17-10-19-9-14-11-21(13(2)22)8-7-16(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyFXXRAKGRNHMKQV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds2

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

7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112521061) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112521061
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)20-18(23)17-10-19-9-14-11-21(13(2)22)8-7-16(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyFXXRAKGRNHMKQV-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
7-acetyl-N-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524858
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523914
7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528186
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528023
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112527574

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112521061) is 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is FXXRAKGRNHMKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)20-18(23)17-10-19-9-14-11-21(13(2)22)8-7-16(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112521061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).