N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide

C11H15ClN2O — CID 114303570

IUPACN-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1cccnc1
InChIInChI=1S/C11H15ClN2O/c1-3-11(2,8-12)14-10(15)9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyVJFLIORSSFMCIX-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.22
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide

N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 114303570) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID114303570
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1cccnc1
InChIInChI=1S/C11H15ClN2O/c1-3-11(2,8-12)14-10(15)9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyVJFLIORSSFMCIX-UHFFFAOYSA-N
XLogP2.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-methylpyridine-3-carboxamide chloride
CID 20976730
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
iodoethane;pyridine-3-carboxylic acid
CID 158495952
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide (CID 114303570) is N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide is CCC(C)(CCl)NC(=O)c1cccnc1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is VJFLIORSSFMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-11(2,8-12)14-10(15)9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide?
N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114303570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).