N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide

C12H17ClN2O2 — CID 106754271

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
SMILESCOCCN(CCCl)C(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17ClN2O2/c1-10-9-11(3-5-14-10)12(16)15(6-4-13)7-8-17-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyQZGMLLIKDNRLAO-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.72
Rot. Bonds6

About N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide (PubChem CID 106754271) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
PubChem CID106754271
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
SMILESCOCCN(CCCl)C(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17ClN2O2/c1-10-9-11(3-5-14-10)12(16)15(6-4-13)7-8-17-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyQZGMLLIKDNRLAO-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
CID 119182829

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide (CID 106754271) is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide is COCCN(CCCl)C(=O)c1ccnc(C)c1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide?
The InChIKey is QZGMLLIKDNRLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-10-9-11(3-5-14-10)12(16)15(6-4-13)7-8-17-2/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).