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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Related Compounds

2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63303905
2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103464835
2-(prop-2-enylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 55107933
2-(3-methylsulfonylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709288
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115327353
2-(4-methoxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710159
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106149536
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 107854792
2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63833983
2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106178559
4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
CID 122035144
2-(thiolan-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 80587056

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).