6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C21H19ClN4O2S — CID 91949189

IUPAC6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(=O)N1Cc2cccnc2C(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)C1
InChIInChI=1S/C21H19ClN4O2S/c1-13(27)26-10-15-3-2-8-23-20(15)17(11-26)21(28)24-9-19-25-18(12-29-19)14-4-6-16(22)7-5-14/h2-8,12,17H,9-11H2,1H3,(H,24,28)
InChIKeyLOCAXAOIVGMSDY-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.62
Rot. Bonds4

About 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949189) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949189
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(=O)N1Cc2cccnc2C(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)C1
InChIInChI=1S/C21H19ClN4O2S/c1-13(27)26-10-15-3-2-8-23-20(15)17(11-26)21(28)24-9-19-25-18(12-29-19)14-4-6-16(22)7-5-14/h2-8,12,17H,9-11H2,1H3,(H,24,28)
InChIKeyLOCAXAOIVGMSDY-UHFFFAOYSA-N
XLogP3.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949173
6-acetyl-N-(1-pyridin-2-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949302
6-acetyl-N-(1-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949112
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146452073
6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949207
1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949310
(2S,3S)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 177213680
1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949318
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
(2S,3S)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]acetyl]-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-3-carboxamide
CID 177213878

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949189) is 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is CC(=O)N1Cc2cccnc2C(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)C1.
What is the InChIKey of 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is LOCAXAOIVGMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-13(27)26-10-15-3-2-8-23-20(15)17(11-26)21(28)24-9-19-25-18(12-29-19)14-4-6-16(22)7-5-14/h2-8,12,17H,9-11H2,1H3,(H,24,28).
What are the key properties of 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).