1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid

C12H14N2O2 — CID 174825962

IUPAC1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(Nc2ccccc2)C1
InChIInChI=1S/C12H14N2O2/c15-12(16)10-5-4-8-14(9-10)13-11-6-2-1-3-7-11/h1-3,5-7,13H,4,8-9H2,(H,15,16)
InChIKeySMPUYXYISQGVDT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.73
Rot. Bonds3

About 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 174825962) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID174825962
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(Nc2ccccc2)C1
InChIInChI=1S/C12H14N2O2/c15-12(16)10-5-4-8-14(9-10)13-11-6-2-1-3-7-11/h1-3,5-7,13H,4,8-9H2,(H,15,16)
InChIKeySMPUYXYISQGVDT-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 174825962) is 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid is O=C(O)C1=CCCN(Nc2ccccc2)C1.
What is the InChIKey of 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is SMPUYXYISQGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)10-5-4-8-14(9-10)13-11-6-2-1-3-7-11/h1-3,5-7,13H,4,8-9H2,(H,15,16).
What are the key properties of 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 174825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).