2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide

C16H24N4O — CID 61232537

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
SMILESCCCN(c1ncccc1C(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24N4O/c1-2-8-20(13-9-11-5-6-12(10-13)19-11)16-14(15(17)21)4-3-7-18-16/h3-4,7,11-13,19H,2,5-6,8-10H2,1H3,(H2,17,21)
InChIKeyVZDJUZKQYJVNSF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.68
Rot. Bonds5

About 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide (PubChem CID 61232537) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
PubChem CID61232537
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
SMILESCCCN(c1ncccc1C(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24N4O/c1-2-8-20(13-9-11-5-6-12(10-13)19-11)16-14(15(17)21)4-3-7-18-16/h3-4,7,11-13,19H,2,5-6,8-10H2,1H3,(H2,17,21)
InChIKeyVZDJUZKQYJVNSF-UHFFFAOYSA-N
XLogP1.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide (CID 61232537) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide is CCCN(c1ncccc1C(N)=O)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide?
The InChIKey is VZDJUZKQYJVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-8-20(13-9-11-5-6-12(10-13)19-11)16-14(15(17)21)4-3-7-18-16/h3-4,7,11-13,19H,2,5-6,8-10H2,1H3,(H2,17,21).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 61232537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).