3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C17H26N2O — CID 82523218

IUPAC3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)n1c2c(cc(CNC3CCCC3)c1=O)CCC2
InChIInChI=1S/C17H26N2O/c1-12(2)19-16-9-5-6-13(16)10-14(17(19)20)11-18-15-7-3-4-8-15/h10,12,15,18H,3-9,11H2,1-2H3
InChIKeyHCECHTOWFLLZSJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds4

About 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523218) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523218
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)n1c2c(cc(CNC3CCCC3)c1=O)CCC2
InChIInChI=1S/C17H26N2O/c1-12(2)19-16-9-5-6-13(16)10-14(17(19)20)11-18-15-7-3-4-8-15/h10,12,15,18H,3-9,11H2,1-2H3
InChIKeyHCECHTOWFLLZSJ-UHFFFAOYSA-N
XLogP2.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
3-[(cyclopropylamino)methyl]-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522730
3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522956
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82525035
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523341
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391037

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523218) is 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(C)n1c2c(cc(CNC3CCCC3)c1=O)CCC2.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is HCECHTOWFLLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)19-16-9-5-6-13(16)10-14(17(19)20)11-18-15-7-3-4-8-15/h10,12,15,18H,3-9,11H2,1-2H3.
What are the key properties of 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).