6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide

C14H19ClN4O — CID 78916895

IUPAC6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CCN3CCCC3C2)cc1Cl
InChIInChI=1S/C14H19ClN4O/c15-12-6-9(8-17-13(12)16)14(20)18-10-3-5-19-4-1-2-11(19)7-10/h6,8,10-11H,1-5,7H2,(H2,16,17)(H,18,20)
InChIKeyPRPLXZCOVRPLOA-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.67
Rot. Bonds2

About 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide

6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide (PubChem CID 78916895) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide
PubChem CID78916895
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CCN3CCCC3C2)cc1Cl
InChIInChI=1S/C14H19ClN4O/c15-12-6-9(8-17-13(12)16)14(20)18-10-3-5-19-4-1-2-11(19)7-10/h6,8,10-11H,1-5,7H2,(H2,16,17)(H,18,20)
InChIKeyPRPLXZCOVRPLOA-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5,6-dichloropyridine-3-carboxamide
CID 78968147
6-amino-5-chloro-N-cyclooctylpyridine-3-carboxamide
CID 62152170
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
CID 113225212
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluoro-3-sulfanylbenzamide
CID 107033170
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-difluorobenzamide
CID 107121293

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide (CID 78916895) is 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide is Nc1ncc(C(=O)NC2CCN3CCCC3C2)cc1Cl.
What is the InChIKey of 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide?
The InChIKey is PRPLXZCOVRPLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-12-6-9(8-17-13(12)16)14(20)18-10-3-5-19-4-1-2-11(19)7-10/h6,8,10-11H,1-5,7H2,(H2,16,17)(H,18,20).
What are the key properties of 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide?
6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 78916895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).