N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide

C13H19ClN2O — CID 63390828

IUPACN-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
SMILESCCCCN(CCCl)C(=O)c1cccc(C)n1
InChIInChI=1S/C13H19ClN2O/c1-3-4-9-16(10-8-14)13(17)12-7-5-6-11(2)15-12/h5-7H,3-4,8-10H2,1-2H3
InChIKeyWHXJQKIFIQOPTN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.87
Rot. Bonds6

About N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide

N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide (PubChem CID 63390828) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
PubChem CID63390828
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
SMILESCCCCN(CCCl)C(=O)c1cccc(C)n1
InChIInChI=1S/C13H19ClN2O/c1-3-4-9-16(10-8-14)13(17)12-7-5-6-11(2)15-12/h5-7H,3-4,8-10H2,1-2H3
InChIKeyWHXJQKIFIQOPTN-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
CID 43136568
N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198714
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide (CID 63390828) is N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide is CCCCN(CCCl)C(=O)c1cccc(C)n1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide?
The InChIKey is WHXJQKIFIQOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-9-16(10-8-14)13(17)12-7-5-6-11(2)15-12/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide?
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 63390828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).