2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide

C9H14N2O — CID 143618837

IUPAC2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)C1CNC2=CCCC2C1
InChIInChI=1S/C9H14N2O/c10-9(12)7-4-6-2-1-3-8(6)11-5-7/h3,6-7,11H,1-2,4-5H2,(H2,10,12)
InChIKeyBFJZHSDJUPSFLN-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.38
Rot. Bonds1

About 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide

2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 143618837) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID143618837
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)C1CNC2=CCCC2C1
InChIInChI=1S/C9H14N2O/c10-9(12)7-4-6-2-1-3-8(6)11-5-7/h3,6-7,11H,1-2,4-5H2,(H2,10,12)
InChIKeyBFJZHSDJUPSFLN-UHFFFAOYSA-N
XLogP0.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,3a,4,5-hexahydropentalen-2-yl)ethanone
CID 141162537
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CID 95970376
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
cis-(1S,3R)-3-methylcyclopentane-1-carboxamide
CID 142105884
bicyclo[4.2.0]oct-5-ene-7-carboxamide
CID 122573492
2-hydroxy-6-oxopiperidine-4-carboxamide
CID 73186454
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
2,3,3a,4,5,6-hexahydro-1H-indole-4-carboxylic acid
CID 70092259
7-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 105445994
aniline;cyclobutanecarboxamide
CID 145209318
5-acetyl-8,10-dioxo-9-azabicyclo[5.3.1]undecane-3-carboxamide
CID 130433020
1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide
CID 132569005

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide (CID 143618837) is 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)C1CNC2=CCCC2C1.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BFJZHSDJUPSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(12)7-4-6-2-1-3-8(6)11-5-7/h3,6-7,11H,1-2,4-5H2,(H2,10,12).
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide?
2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 143618837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).