N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide

C12H17ClN2O — CID 106754273

IUPACN-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
SMILESCCN(CCCCl)C(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17ClN2O/c1-3-15(8-4-6-13)12(16)11-5-7-14-10(2)9-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyQTWXKAQZDQJVJC-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.48
Rot. Bonds5

About N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide

N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide (PubChem CID 106754273) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
PubChem CID106754273
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
SMILESCCN(CCCCl)C(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17ClN2O/c1-3-15(8-4-6-13)12(16)11-5-7-14-10(2)9-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyQTWXKAQZDQJVJC-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.48
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-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide (CID 106754273) is N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide is CCN(CCCCl)C(=O)c1ccnc(C)c1.
What is the InChIKey of N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide?
The InChIKey is QTWXKAQZDQJVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-15(8-4-6-13)12(16)11-5-7-14-10(2)9-11/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide?
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).