3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide

C13H19N3O2 — CID 105064206

IUPAC3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCC1CCCN1
InChIInChI=1S/C13H19N3O2/c1-18-12-9-14-7-5-11(12)13(17)16-8-4-10-3-2-6-15-10/h5,7,9-10,15H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyQTPVRQWODMEVAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds5

About 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide

3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 105064206) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
PubChem CID105064206
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCC1CCCN1
InChIInChI=1S/C13H19N3O2/c1-18-12-9-14-7-5-11(12)13(17)16-8-4-10-3-2-6-15-10/h5,7,9-10,15H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyQTPVRQWODMEVAJ-UHFFFAOYSA-N
XLogP0.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971956
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2-methoxy-3-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793929
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide (CID 105064206) is 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide is COc1cnccc1C(=O)NCCC1CCCN1.
What is the InChIKey of 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is QTPVRQWODMEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-9-14-7-5-11(12)13(17)16-8-4-10-3-2-6-15-10/h5,7,9-10,15H,2-4,6,8H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide?
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).