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

C20H26N2O — CID 82523153

IUPAC3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCn1c2c(cc(C(N)c3ccc(C)cc3C)c1=O)CCC2
InChIInChI=1S/C20H26N2O/c1-4-10-22-18-7-5-6-15(18)12-17(20(22)23)19(21)16-9-8-13(2)11-14(16)3/h8-9,11-12,19H,4-7,10,21H2,1-3H3
InChIKeyFDKALPFLBZWODJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.41
Rot. Bonds4

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

3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523153) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523153
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCn1c2c(cc(C(N)c3ccc(C)cc3C)c1=O)CCC2
InChIInChI=1S/C20H26N2O/c1-4-10-22-18-7-5-6-15(18)12-17(20(22)23)19(21)16-9-8-13(2)11-14(16)3/h8-9,11-12,19H,4-7,10,21H2,1-3H3
InChIKeyFDKALPFLBZWODJ-UHFFFAOYSA-N
XLogP3.41
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523153) is 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCCn1c2c(cc(C(N)c3ccc(C)cc3C)c1=O)CCC2.
What is the InChIKey of 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is FDKALPFLBZWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-10-22-18-7-5-6-15(18)12-17(20(22)23)19(21)16-9-8-13(2)11-14(16)3/h8-9,11-12,19H,4-7,10,21H2,1-3H3.
What are the key properties of 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).