2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H17N3O2 — CID 62701830

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN(Cc1ccncc1)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H17N3O2/c1-19(10-11-5-7-17-8-6-11)15-13(16(20)21)9-12-3-2-4-14(12)18-15/h5-9H,2-4,10H2,1H3,(H,20,21)
InChIKeyPQOYRUBAUDFOLW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.30
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62701830) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62701830
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN(Cc1ccncc1)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H17N3O2/c1-19(10-11-5-7-17-8-6-11)15-13(16(20)21)9-12-3-2-4-14(12)18-15/h5-9H,2-4,10H2,1H3,(H,20,21)
InChIKeyPQOYRUBAUDFOLW-UHFFFAOYSA-N
XLogP2.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62701830) is 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CN(Cc1ccncc1)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PQOYRUBAUDFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(10-11-5-7-17-8-6-11)15-13(16(20)21)9-12-3-2-4-14(12)18-15/h5-9H,2-4,10H2,1H3,(H,20,21).
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).