N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide

C11H15ClN2O — CID 164655174

IUPACN-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)NC(C)(C)CCl
InChIInChI=1S/C11H15ClN2O/c1-8-4-5-13-6-9(8)10(15)14-11(2,3)7-12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyBDHUCYLKFDAIJW-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.14
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide (PubChem CID 164655174) 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)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide
PubChem CID164655174
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)NC(C)(C)CCl
InChIInChI=1S/C11H15ClN2O/c1-8-4-5-13-6-9(8)10(15)14-11(2,3)7-12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyBDHUCYLKFDAIJW-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-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
4-methylpyridine-3-carbonyl chloride
CID 22386188
N-(2-fluoroethyl)-4-methylpyridine-3-carboxamide
CID 89026003
4-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 81239742
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 114143178

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide (CID 164655174) is N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)NC(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide?
The InChIKey is BDHUCYLKFDAIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-4-5-13-6-9(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)-4-methylpyridine-3-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-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)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 164655174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).