N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide

C10H13ClN2O2 — CID 63391571

IUPACN-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)CCCl
InChIInChI=1S/C10H13ClN2O2/c1-13(7-5-11)10(14)8-4-3-6-12-9(8)15-2/h3-4,6H,5,7H2,1-2H3
InChIKeyGIPDDLONCGGGQL-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.40
Rot. Bonds4

About N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide

N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 63391571) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID63391571
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)CCCl
InChIInChI=1S/C10H13ClN2O2/c1-13(7-5-11)10(14)8-4-3-6-12-9(8)15-2/h3-4,6H,5,7H2,1-2H3
InChIKeyGIPDDLONCGGGQL-UHFFFAOYSA-N
XLogP1.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
N-(4-hydroxyphenyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 60744120
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 124991397
N-butan-2-yl-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 46995416
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide (CID 63391571) is N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide is COc1ncccc1C(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is GIPDDLONCGGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(7-5-11)10(14)8-4-3-6-12-9(8)15-2/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide?
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63391571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).