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

C14H18ClN3O — CID 114924253

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC3CCCC3C2)c(Cl)cn1
InChIInChI=1S/C14H18ClN3O/c1-16-13-5-11(12(15)6-17-13)14(19)18-7-9-3-2-4-10(9)8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyFRSDLRHBXCDYKO-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.65
Rot. Bonds2

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone (PubChem CID 114924253) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
PubChem CID114924253
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC3CCCC3C2)c(Cl)cn1
InChIInChI=1S/C14H18ClN3O/c1-16-13-5-11(12(15)6-17-13)14(19)18-7-9-3-2-4-10(9)8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyFRSDLRHBXCDYKO-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
[5-chloro-2-(methylamino)-4-pyridinyl]-(4-propan-2-ylazepan-1-yl)methanone
CID 114923746
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 114922349
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
[5-chloro-2-(methylamino)-4-pyridinyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226292
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 114923995
[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 114923448

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone (CID 114924253) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CC3CCCC3C2)c(Cl)cn1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is FRSDLRHBXCDYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-16-13-5-11(12(15)6-17-13)14(19)18-7-9-3-2-4-10(9)8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 279.77 g/mol, XLogP of 2.65, 2 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-[5-chloro-2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 114924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).