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

C16H23N3O — CID 105070449

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C16H23N3O/c1-2-18-14-11-17-9-8-13(14)16(20)19-10-4-6-12-5-3-7-15(12)19/h8-9,11-12,15,18H,2-7,10H2,1H3
InChIKeyYYRDMCHZBGTLMK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds3

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

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone (PubChem CID 105070449) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
PubChem CID105070449
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C16H23N3O/c1-2-18-14-11-17-9-8-13(14)16(20)19-10-4-6-12-5-3-7-15(12)19/h8-9,11-12,15,18H,2-7,10H2,1H3
InChIKeyYYRDMCHZBGTLMK-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(2,5-dimethylpiperidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070518
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-pyridinyl)methanone
CID 81245899
(2-cyclopentylpyrrolidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181418
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484434
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 81242396
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 105070176
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 105071079

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone (CID 105070449) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone is CCNc1cnccc1C(=O)N1CCCC2CCCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is YYRDMCHZBGTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-14-11-17-9-8-13(14)16(20)19-10-4-6-12-5-3-7-15(12)19/h8-9,11-12,15,18H,2-7,10H2,1H3.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.92, 3 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-[3-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105070449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).