5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide

C14H20N4O — CID 55230778

IUPAC5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NC2CCN3CCCC23)nc1
InChIInChI=1S/C14H20N4O/c15-8-10-3-4-12(16-9-10)14(19)17-11-5-7-18-6-1-2-13(11)18/h3-4,9,11,13H,1-2,5-8,15H2,(H,17,19)
InChIKeyFVLKMEKEWNXCGB-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.51
Rot. Bonds3

About 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide

5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide (PubChem CID 55230778) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide
PubChem CID55230778
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NC2CCN3CCCC23)nc1
InChIInChI=1S/C14H20N4O/c15-8-10-3-4-12(16-9-10)14(19)17-11-5-7-18-6-1-2-13(11)18/h3-4,9,11,13H,1-2,5-8,15H2,(H,17,19)
InChIKeyFVLKMEKEWNXCGB-UHFFFAOYSA-N
XLogP0.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide (CID 55230778) is 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide is NCc1ccc(C(=O)NC2CCN3CCCC23)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide?
The InChIKey is FVLKMEKEWNXCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-8-10-3-4-12(16-9-10)14(19)17-11-5-7-18-6-1-2-13(11)18/h3-4,9,11,13H,1-2,5-8,15H2,(H,17,19).
What are the key properties of 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 55230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).