2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide

C10H12Cl2N2O2S — CID 114918892

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

About 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide (PubChem CID 114918892) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
PubChem CID114918892
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)ncc1Cl)S(C)=O
InChIInChI=1S/C10H12Cl2N2O2S/c1-6(17(2)16)4-14-10(15)7-3-9(12)13-5-8(7)11/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeyNFFXSEWRDDBCBH-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

2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
CID 97241880
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide (CID 114918892) is 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1cc(Cl)ncc1Cl)S(C)=O.
What is the InChIKey of 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide?
The InChIKey is NFFXSEWRDDBCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c1-6(17(2)16)4-14-10(15)7-3-9(12)13-5-8(7)11/h3,5-6H,4H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-methylsulfinylpropyl)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-(2-methylsulfinylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).