3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C20H26N2O — CID 82523202

IUPAC3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1ccc(C(N)c2cc3c(n(C(C)C)c2=O)CCC3)cc1C
InChIInChI=1S/C20H26N2O/c1-12(2)22-18-7-5-6-15(18)11-17(20(22)23)19(21)16-9-8-13(3)14(4)10-16/h8-12,19H,5-7,21H2,1-4H3
InChIKeyYWSYOPPTVXROFH-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.58
Rot. Bonds3

About 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523202) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523202
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1ccc(C(N)c2cc3c(n(C(C)C)c2=O)CCC3)cc1C
InChIInChI=1S/C20H26N2O/c1-12(2)22-18-7-5-6-15(18)11-17(20(22)23)19(21)16-9-8-13(3)14(4)10-16/h8-12,19H,5-7,21H2,1-4H3
InChIKeyYWSYOPPTVXROFH-UHFFFAOYSA-N
XLogP3.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523102
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523256
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524594
3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523153
3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522528
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-ylpyridin-2-one
CID 82526838
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523202) is 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cc1ccc(C(N)c2cc3c(n(C(C)C)c2=O)CCC3)cc1C.
What is the InChIKey of 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is YWSYOPPTVXROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-12(2)22-18-7-5-6-15(18)11-17(20(22)23)19(21)16-9-8-13(3)14(4)10-16/h8-12,19H,5-7,21H2,1-4H3.
What are the key properties of 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).