2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

C13H19N3O2 — CID 115116342

IUPAC2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(CCO)c2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-3-12(9-16)15-13(18)10-2-5-14-11(8-10)4-7-17/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,15,18)
InChIKeyLTNVERMJIWYWKC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 115116342) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID115116342
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(CCO)c2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-3-12(9-16)15-13(18)10-2-5-14-11(8-10)4-7-17/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,15,18)
InChIKeyLTNVERMJIWYWKC-UHFFFAOYSA-N
XLogP0.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116174
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
CID 166257039
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (CID 115116342) is 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccnc(CCO)c2)C1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is LTNVERMJIWYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-3-12(9-16)15-13(18)10-2-5-14-11(8-10)4-7-17/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,15,18).
What are the key properties of 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).