6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C19H29N5O4S — CID 91949173

IUPAC6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)C2CN(C(C)=O)Cc3cccnc32)CC1
InChIInChI=1S/C19H29N5O4S/c1-3-29(27,28)24-11-9-22(10-12-24)8-7-21-19(26)17-14-23(15(2)25)13-16-5-4-6-20-18(16)17/h4-6,17H,3,7-14H2,1-2H3,(H,21,26)
InChIKeyPWMZNFUAQFOOIR-UHFFFAOYSA-N
MW423.54 g/mol
LogP-0.39
Rot. Bonds6

About 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949173) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949173
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC Name6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)C2CN(C(C)=O)Cc3cccnc32)CC1
InChIInChI=1S/C19H29N5O4S/c1-3-29(27,28)24-11-9-22(10-12-24)8-7-21-19(26)17-14-23(15(2)25)13-16-5-4-6-20-18(16)17/h4-6,17H,3,7-14H2,1-2H3,(H,21,26)
InChIKeyPWMZNFUAQFOOIR-UHFFFAOYSA-N
XLogP-0.39
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-acetyl-N-(1-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949112
6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949133
6-acetyl-N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949207
6-acetyl-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949189
1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949232
N-ethyl-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949424
6-(furan-2-carbonyl)-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949384
N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949351
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
N-(3-indazol-2-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949462
N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949461
(2S,3S)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94066775

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949173) is 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is CCS(=O)(=O)N1CCN(CCNC(=O)C2CN(C(C)=O)Cc3cccnc32)CC1.
What is the InChIKey of 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is PWMZNFUAQFOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-3-29(27,28)24-11-9-22(10-12-24)8-7-21-19(26)17-14-23(15(2)25)13-16-5-4-6-20-18(16)17/h4-6,17H,3,7-14H2,1-2H3,(H,21,26).
What are the key properties of 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 423.54 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).