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

C16H22FN3O — CID 105387091

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1nccc(C(=O)N2CC3CCCC3C2)c1F
InChIInChI=1S/C16H22FN3O/c1-2-7-18-15-14(17)13(6-8-19-15)16(21)20-9-11-4-3-5-12(11)10-20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,18,19)
InChIKeyVIIVEPVIGMQKDW-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.91
Rot. Bonds4

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone (PubChem CID 105387091) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
PubChem CID105387091
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1nccc(C(=O)N2CC3CCCC3C2)c1F
InChIInChI=1S/C16H22FN3O/c1-2-7-18-15-14(17)13(6-8-19-15)16(21)20-9-11-4-3-5-12(11)10-20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,18,19)
InChIKeyVIIVEPVIGMQKDW-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone (CID 105387091) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone is CCCNc1nccc(C(=O)N2CC3CCCC3C2)c1F.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone?
The InChIKey is VIIVEPVIGMQKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-2-7-18-15-14(17)13(6-8-19-15)16(21)20-9-11-4-3-5-12(11)10-20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,18,19).
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone has a molecular weight of 291.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105387091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).