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

C17H19ClN2O — CID 82523256

IUPAC3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCn1c2c(cc(C(N)c3ccc(Cl)cc3)c1=O)CCC2
InChIInChI=1S/C17H19ClN2O/c1-2-20-15-5-3-4-12(15)10-14(17(20)21)16(19)11-6-8-13(18)9-7-11/h6-10,16H,2-5,19H2,1H3
InChIKeyGTESYNGKTWRRFN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.06
Rot. Bonds3

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

3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523256) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523256
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCn1c2c(cc(C(N)c3ccc(Cl)cc3)c1=O)CCC2
InChIInChI=1S/C17H19ClN2O/c1-2-20-15-5-3-4-12(15)10-14(17(20)21)16(19)11-6-8-13(18)9-7-11/h6-10,16H,2-5,19H2,1H3
InChIKeyGTESYNGKTWRRFN-UHFFFAOYSA-N
XLogP3.06
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523256) is 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCn1c2c(cc(C(N)c3ccc(Cl)cc3)c1=O)CCC2.
What is the InChIKey of 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is GTESYNGKTWRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-20-15-5-3-4-12(15)10-14(17(20)21)16(19)11-6-8-13(18)9-7-11/h6-10,16H,2-5,19H2,1H3.
What are the key properties of 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 302.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).