N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide

C16H17ClN2O2 — CID 63390573

IUPACN-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-14(8-5-10-18-15)16(20)19(11-9-17)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3
InChIKeyPWJMHKFJIJTWSU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.97
Rot. Bonds6

About N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide

N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide (PubChem CID 63390573) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
PubChem CID63390573
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-14(8-5-10-18-15)16(20)19(11-9-17)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3
InChIKeyPWJMHKFJIJTWSU-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.97
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-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
CID 134003290
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556
N-benzyl-2,6-dimethoxy-N-(2-phenylethyl)pyridine-3-carboxamide
CID 6624514
N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280456
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide (CID 63390573) is N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is PWJMHKFJIJTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-14(8-5-10-18-15)16(20)19(11-9-17)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide?
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 63390573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).