[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

C15H21N3O2 — CID 105071079

IUPAC[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C15H21N3O2/c1-2-17-13-7-16-6-5-11(13)15(20)18-8-10-3-4-14(19)12(10)9-18/h5-7,10,12,14,17,19H,2-4,8-9H2,1H3
InChIKeyZXHRIXYIXCRFMT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds3

About [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (PubChem CID 105071079) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
PubChem CID105071079
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C15H21N3O2/c1-2-17-13-7-16-6-5-11(13)15(20)18-8-10-3-4-14(19)12(10)9-18/h5-7,10,12,14,17,19H,2-4,8-9H2,1H3
InChIKeyZXHRIXYIXCRFMT-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone with MolForge

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 105070176
(2,5-dimethylpiperidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070518
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (CID 105071079) is [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is CCNc1cnccc1C(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The InChIKey is ZXHRIXYIXCRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17-13-7-16-6-5-11(13)15(20)18-8-10-3-4-14(19)12(10)9-18/h5-7,10,12,14,17,19H,2-4,8-9H2,1H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is sourced from PubChem (CID 105071079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).