N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C8H10N2OS — CID 14802390

IUPACN,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)6-4-3-5-9-7(6)12/h3-5H,1-2H3,(H,9,12)
InChIKeyHYVMZYDJQLKOGW-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.45
Rot. Bonds1

About N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 14802390) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID14802390
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)6-4-3-5-9-7(6)12/h3-5H,1-2H3,(H,9,12)
InChIKeyHYVMZYDJQLKOGW-UHFFFAOYSA-N
XLogP1.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
2-Mercaptonicotinamide
CID 4143093
3-[(Methylamino)methyl]-1,2-dihydropyridin-2-one
CID 70230414
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 14802390) is N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CN(C)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is HYVMZYDJQLKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-10(2)8(11)6-4-3-5-9-7(6)12/h3-5H,1-2H3,(H,9,12).
What are the key properties of N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 14802390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).