2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C13H20N4O — CID 55211981

IUPAC2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C13H20N4O/c1-14-12-11(5-4-6-15-12)13(18)16-7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyWXIVINFDXSXENV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds5

About 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 55211981) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID55211981
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C13H20N4O/c1-14-12-11(5-4-6-15-12)13(18)16-7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyWXIVINFDXSXENV-UHFFFAOYSA-N
XLogP0.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 55211981) is 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCCN1CCCC1.
What is the InChIKey of 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is WXIVINFDXSXENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-12-11(5-4-6-15-12)13(18)16-7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55211981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).