N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

C14H19ClN4O — CID 62167795

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C14H19ClN4O/c1-16-13-11(15)6-10(7-17-13)14(20)18-12-8-19-4-2-9(12)3-5-19/h6-7,9,12H,2-5,8H2,1H3,(H,16,17)(H,18,20)
InChIKeyKGIWCOQEPBXKOF-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.60
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62167795) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
PubChem CID62167795
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C14H19ClN4O/c1-16-13-11(15)6-10(7-17-13)14(20)18-12-8-19-4-2-9(12)3-5-19/h6-7,9,12H,2-5,8H2,1H3,(H,16,17)(H,18,20)
InChIKeyKGIWCOQEPBXKOF-UHFFFAOYSA-N
XLogP1.60
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (CID 62167795) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC2CN3CCC2CC3)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is KGIWCOQEPBXKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-16-13-11(15)6-10(7-17-13)14(20)18-12-8-19-4-2-9(12)3-5-19/h6-7,9,12H,2-5,8H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).