2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide

C11H12Cl2N2OS — CID 107271725

IUPAC2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCSC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C11H12Cl2N2OS/c1-17-11(2-3-11)6-14-10(16)7-4-8(12)15-9(13)5-7/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyCJFPPWOHOUERRO-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.01
Rot. Bonds4

About 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 107271725) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID107271725
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC Name2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCSC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C11H12Cl2N2OS/c1-17-11(2-3-11)6-14-10(16)7-4-8(12)15-9(13)5-7/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyCJFPPWOHOUERRO-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.01
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

5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271703
2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 115766201
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107329704
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide (CID 107271725) is 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide is CSC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is CJFPPWOHOUERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c1-17-11(2-3-11)6-14-10(16)7-4-8(12)15-9(13)5-7/h4-5H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 291.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107271725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).