2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C17H18N2O2 — CID 62709773

IUPAC2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2nc3c(cc2C(=O)O)CCC3)cc1
InChIInChI=1S/C17H18N2O2/c1-11-5-7-12(8-6-11)10-18-16-14(17(20)21)9-13-3-2-4-15(13)19-16/h5-9H,2-4,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQRZWCZJMDJXQDE-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.19
Rot. Bonds4

About 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62709773) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62709773
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2nc3c(cc2C(=O)O)CCC3)cc1
InChIInChI=1S/C17H18N2O2/c1-11-5-7-12(8-6-11)10-18-16-14(17(20)21)9-13-3-2-4-15(13)19-16/h5-9H,2-4,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQRZWCZJMDJXQDE-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62709773) is 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Cc1ccc(CNc2nc3c(cc2C(=O)O)CCC3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is QRZWCZJMDJXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-7-12(8-6-11)10-18-16-14(17(20)21)9-13-3-2-4-15(13)19-16/h5-9H,2-4,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62709773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).