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

C20H24N2O — CID 82523102

IUPAC3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1ccc(C(N)c2cc3c(n(C4CC4)c2=O)CCC3)cc1C
InChIInChI=1S/C20H24N2O/c1-12-6-7-15(10-13(12)2)19(21)17-11-14-4-3-5-18(14)22(20(17)23)16-8-9-16/h6-7,10-11,16,19H,3-5,8-9,21H2,1-2H3
InChIKeyZCGYIYXELNWOEN-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.34
Rot. Bonds3

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

3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523102) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523102
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1ccc(C(N)c2cc3c(n(C4CC4)c2=O)CCC3)cc1C
InChIInChI=1S/C20H24N2O/c1-12-6-7-15(10-13(12)2)19(21)17-11-14-4-3-5-18(14)22(20(17)23)16-8-9-16/h6-7,10-11,16,19H,3-5,8-9,21H2,1-2H3
InChIKeyZCGYIYXELNWOEN-UHFFFAOYSA-N
XLogP3.34
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523102) is 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cc1ccc(C(N)c2cc3c(n(C4CC4)c2=O)CCC3)cc1C.
What is the InChIKey of 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is ZCGYIYXELNWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-12-6-7-15(10-13(12)2)19(21)17-11-14-4-3-5-18(14)22(20(17)23)16-8-9-16/h6-7,10-11,16,19H,3-5,8-9,21H2,1-2H3.
What are the key properties of 3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[amino-(3,4-dimethylphenyl)methyl]-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.34, 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-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).