2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone

C17H25N3O — CID 65322102

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCC3CCCC32)n1
InChIInChI=1S/C17H25N3O/c1-2-11-18-16-10-4-8-14(19-16)17(21)20-12-5-7-13-6-3-9-15(13)20/h4,8,10,13,15H,2-3,5-7,9,11-12H2,1H3,(H,18,19)
InChIKeyKVTQSROGSQUTIV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds4

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 65322102) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID65322102
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCC3CCCC32)n1
InChIInChI=1S/C17H25N3O/c1-2-11-18-16-10-4-8-14(19-16)17(21)20-12-5-7-13-6-3-9-15(13)20/h4,8,10,13,15H,2-3,5-7,9,11-12H2,1H3,(H,18,19)
InChIKeyKVTQSROGSQUTIV-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 65322341
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(6-bromo-2-pyridinyl)methanone
CID 113344267
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 79180595
3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
CID 63600748
N-(2,6-dimethylpiperidin-1-yl)-6-(propylamino)pyridine-2-carboxamide
CID 83015635
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone (CID 65322102) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCCC3CCCC32)n1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is KVTQSROGSQUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-11-18-16-10-4-8-14(19-16)17(21)20-12-5-7-13-6-3-9-15(13)20/h4,8,10,13,15H,2-3,5-7,9,11-12H2,1H3,(H,18,19).
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 287.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 65322102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).