N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide

C19H23N3O3S — CID 109173420

IUPACN-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C19H23N3O3S/c1-3-22(16-7-5-4-6-8-16)18-13-15(9-11-20-18)19(23)21(2)17-10-12-26(24,25)14-17/h4-9,11,13,17H,3,10,12,14H2,1-2H3
InChIKeyHOQUGEKHRGGPMH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.50
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide (PubChem CID 109173420) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide
PubChem CID109173420
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C19H23N3O3S/c1-3-22(16-7-5-4-6-8-16)18-13-15(9-11-20-18)19(23)21(2)17-10-12-26(24,25)14-17/h4-9,11,13,17H,3,10,12,14H2,1-2H3
InChIKeyHOQUGEKHRGGPMH-UHFFFAOYSA-N
XLogP2.50
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109173463
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109173399
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 109174101
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-methylpyridine-4-carboxamide
CID 109168738
2-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 109173427
N-(1,1-dioxothiolan-3-yl)-2-(2-fluoroanilino)-N-methylpyridine-4-carboxamide
CID 109173425
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 124985180
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-2-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088395
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide (CID 109173420) is N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide?
The InChIKey is HOQUGEKHRGGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-22(16-7-5-4-6-8-16)18-13-15(9-11-20-18)19(23)21(2)17-10-12-26(24,25)14-17/h4-9,11,13,17H,3,10,12,14H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109173420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).