5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

C13H18ClN3O — CID 106609136

IUPAC5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-2-17(9-11-4-3-7-15-11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyNJXXMJGPSYACJZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds4

About 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 106609136) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID106609136
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-2-17(9-11-4-3-7-15-11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyNJXXMJGPSYACJZ-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
CID 107356560
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
N-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106609110
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 106609136) is 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CCN(CC1CCCN1)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NJXXMJGPSYACJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-17(9-11-4-3-7-15-11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106609136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).