6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide

C16H24N4O4S — CID 52515152

IUPAC6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H24N4O4S/c1-3-20(4-2)14-6-5-12(9-17-14)16(22)18-10-15(21)19-13-7-8-25(23,24)11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyGZPWXYHEGLHRDI-ZDUSSCGKSA-N
MW368.46 g/mol
LogP-0.04
Rot. Bonds7

About 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide

6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 52515152) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID52515152
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H24N4O4S/c1-3-20(4-2)14-6-5-12(9-17-14)16(22)18-10-15(21)19-13-7-8-25(23,24)11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyGZPWXYHEGLHRDI-ZDUSSCGKSA-N
XLogP-0.04
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-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

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
6-(dimethylamino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyridine-3-carboxamide
CID 94093510
4-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42909124
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3-(4-ethylphenyl)propanamide
CID 110600975
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
(Z)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
CID 52515979
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 95273962
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
N-[3-(dimethylamino)propyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109154402

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide (CID 52515152) is 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is GZPWXYHEGLHRDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-3-20(4-2)14-6-5-12(9-17-14)16(22)18-10-15(21)19-13-7-8-25(23,24)11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 52515152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).