2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

C10H12Cl2N2O2S — CID 114918896

IUPAC2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c1-6(5-17(2)16)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyPRCCPQSILRYQKM-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.89
Rot. Bonds4

About 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114918896) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114918896
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c1-6(5-17(2)16)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyPRCCPQSILRYQKM-UHFFFAOYSA-N
XLogP1.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 114917789
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (CID 114918896) is 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is CC(CS(C)=O)NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is PRCCPQSILRYQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c1-6(5-17(2)16)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 295.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114918896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).