2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

C14H21N3O3S — CID 110299246

IUPAC2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cccnc1N(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O3S/c1-4-17(11-7-9-21(19,20)10-11)14(18)12-6-5-8-15-13(12)16(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3
InChIKeyAHKZYAXBSJDIBY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.80
Rot. Bonds4

About 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 110299246) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
PubChem CID110299246
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cccnc1N(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O3S/c1-4-17(11-7-9-21(19,20)10-11)14(18)12-6-5-8-15-13(12)16(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3
InChIKeyAHKZYAXBSJDIBY-UHFFFAOYSA-N
XLogP0.80
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742706
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699576
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97207809
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpyridine-3-carboxamide
CID 103754831
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704612

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (CID 110299246) is 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1cccnc1N(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is AHKZYAXBSJDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-17(11-7-9-21(19,20)10-11)14(18)12-6-5-8-15-13(12)16(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 110299246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).