4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide

C10H13ClN2O3S — CID 81226430

IUPAC4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-17(15,16)6-2-4-13-10(14)8-7-12-5-3-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyQBJDQDSWQBRVNK-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.90
Rot. Bonds5

About 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide

4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide (PubChem CID 81226430) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
PubChem CID81226430
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-17(15,16)6-2-4-13-10(14)8-7-12-5-3-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyQBJDQDSWQBRVNK-UHFFFAOYSA-N
XLogP0.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81242256
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide (CID 81226430) is 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide is CS(=O)(=O)CCCNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The InChIKey is QBJDQDSWQBRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-17(15,16)6-2-4-13-10(14)8-7-12-5-3-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide has a molecular weight of 276.74 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).