N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide

C11H15ClN2O — CID 114295056

IUPACN-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C)(C)CCl)n1
InChIInChI=1S/C11H15ClN2O/c1-8-5-4-6-9(13-8)10(15)14-11(2,3)7-12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyZSDTXHJNYNNRHA-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.14
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 114295056) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID114295056
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C)(C)CCl)n1
InChIInChI=1S/C11H15ClN2O/c1-8-5-4-6-9(13-8)10(15)14-11(2,3)7-12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyZSDTXHJNYNNRHA-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.14
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-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 114295004
N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide
CID 107868094
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 22336276
N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71114856
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 136518357

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide (CID 114295056) is N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC(C)(C)CCl)n1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is ZSDTXHJNYNNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-5-4-6-9(13-8)10(15)14-11(2,3)7-12/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 114295056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).