N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide

C11H15ClN2O — CID 106754279

IUPACN-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H15ClN2O/c1-3-10(12)7-14-11(15)9-4-5-13-8(2)6-9/h4-6,10H,3,7H2,1-2H3,(H,14,15)
InChIKeyDZLUKGRLMXOAKW-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.14
Rot. Bonds4

About N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide

N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide (PubChem CID 106754279) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
PubChem CID106754279
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H15ClN2O/c1-3-10(12)7-14-11(15)9-4-5-13-8(2)6-9/h4-6,10H,3,7H2,1-2H3,(H,14,15)
InChIKeyDZLUKGRLMXOAKW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(2-chloro-3-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754281
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
N-(4-chloro-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754217
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide (CID 106754279) is N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide is CCC(Cl)CNC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide?
The InChIKey is DZLUKGRLMXOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-10(12)7-14-11(15)9-4-5-13-8(2)6-9/h4-6,10H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide?
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).