4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

C13H19N3O3S — CID 81040809

IUPAC4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCC2CCCS2(=O)=O)ccn1
InChIInChI=1S/C13H19N3O3S/c1-16(2)13(17)12-8-10(5-6-14-12)15-9-11-4-3-7-20(11,18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyXJRLYBKGBGVXAH-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.77
Rot. Bonds4

About 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 81040809) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID81040809
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCC2CCCS2(=O)=O)ccn1
InChIInChI=1S/C13H19N3O3S/c1-16(2)13(17)12-8-10(5-6-14-12)15-9-11-4-3-7-20(11,18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyXJRLYBKGBGVXAH-UHFFFAOYSA-N
XLogP0.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N-[(1,1-dioxothiolan-2-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 81041211
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-4-amine
CID 103780257
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60855023
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81040301
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (CID 81040809) is 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NCC2CCCS2(=O)=O)ccn1.
What is the InChIKey of 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is XJRLYBKGBGVXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-16(2)13(17)12-8-10(5-6-14-12)15-9-11-4-3-7-20(11,18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 81040809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).