4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide

C12H17ClN2OS — CID 104927006

IUPAC4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
SMILESCSCCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-17-8-4-2-3-6-15-12(16)10-9-14-7-5-11(10)13/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyNDEPUVYMDSHCLY-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.00
Rot. Bonds7

About 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide

4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide (PubChem CID 104927006) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
PubChem CID104927006
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
SMILESCSCCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-17-8-4-2-3-6-15-12(16)10-9-14-7-5-11(10)13/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyNDEPUVYMDSHCLY-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
2-chloro-N-(4-methylsulfanylbutyl)-3-nitropyridine-4-carboxamide
CID 113247231

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide (CID 104927006) is 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide is CSCCCCCNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide?
The InChIKey is NDEPUVYMDSHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-17-8-4-2-3-6-15-12(16)10-9-14-7-5-11(10)13/h5,7,9H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide?
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 104927006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).