N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C15H21N3O — CID 102891385

IUPACN-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1NCC2CCCC21
InChIInChI=1S/C15H21N3O/c19-15(14-13-5-1-4-12(13)10-18-14)17-8-6-11-3-2-7-16-9-11/h2-3,7,9,12-14,18H,1,4-6,8,10H2,(H,17,19)
InChIKeyYCCIQYBDDOJOAH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.13
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891385) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891385
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1NCC2CCCC21
InChIInChI=1S/C15H21N3O/c19-15(14-13-5-1-4-12(13)10-18-14)17-8-6-11-3-2-7-16-9-11/h2-3,7,9,12-14,18H,1,4-6,8,10H2,(H,17,19)
InChIKeyYCCIQYBDDOJOAH-UHFFFAOYSA-N
XLogP1.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893830
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 135095882
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891385) is N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NCCc1cccnc1)C1NCC2CCCC21.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is YCCIQYBDDOJOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(14-13-5-1-4-12(13)10-18-14)17-8-6-11-3-2-7-16-9-11/h2-3,7,9,12-14,18H,1,4-6,8,10H2,(H,17,19).
What are the key properties of N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).