2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide

C11H12Cl2N2O — CID 115766201

IUPAC2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCC1
InChIInChI=1S/C11H12Cl2N2O/c1-11(3-2-4-11)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyZBFMIJULMXWVEK-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.06
Rot. Bonds2

About 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide

2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide (PubChem CID 115766201) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
PubChem CID115766201
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCC1
InChIInChI=1S/C11H12Cl2N2O/c1-11(3-2-4-11)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyZBFMIJULMXWVEK-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isonicotinic acid, 2,6-dichloro-, hydrazide
CID 42563
2,6-Dichloro-4-methylnicotinamide
CID 334855
Isonicotinic acid, 2,6-dichloro-, isopropylidenehydrazide
CID 27511
N-[6-(benzylamino)hexyl]-2,6-dichloropyridine-4-carboxamide
CID 145958953
Abbott-28440
CID 30125
2,6-Dichloroisonicotinamide
CID 2781802
Isonicotinic acid, 2,6-dichloro-, 1-methylhydrazide
CID 42564
Isonicotinohydroxamic acid, 2,6-dichloro-
CID 42572
2,6-Dichloro-isonicotinoyl chloride
CID 2781643
2-Chloro-N-isopropylisonicotinamide
CID 12026212
1-(2-Chloro-6-methylpyridin-4-yl)ethan-1-one
CID 18715035
2-Chloro-6-methylpyridine-4-carboxamide
CID 59534429

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide (CID 115766201) is 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide is CC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCC1.
What is the InChIKey of 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide?
The InChIKey is ZBFMIJULMXWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-11(3-2-4-11)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide?
2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 115766201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).