3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid

C23H22N2O4 — CID 118606488

IUPAC3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccccc1-c1ccc2c(c1)OCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C23H22N2O4/c1-28-21-5-3-2-4-17(21)15-6-7-18-16(9-11-29-22(18)12-15)13-25-20-14-24-10-8-19(20)23(26)27/h2-8,10,12,14,16,25H,9,11,13H2,1H3,(H,26,27)
InChIKeyPVTYYCQPHRQQGI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.43
Rot. Bonds6

About 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid

3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid (PubChem CID 118606488) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
PubChem CID118606488
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccccc1-c1ccc2c(c1)OCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C23H22N2O4/c1-28-21-5-3-2-4-17(21)15-6-7-18-16(9-11-29-22(18)12-15)13-25-20-14-24-10-8-19(20)23(26)27/h2-8,10,12,14,16,25H,9,11,13H2,1H3,(H,26,27)
InChIKeyPVTYYCQPHRQQGI-UHFFFAOYSA-N
XLogP4.43
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid (CID 118606488) is 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid is COc1ccccc1-c1ccc2c(c1)OCCC2CNc1cnccc1C(=O)O.
What is the InChIKey of 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is PVTYYCQPHRQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-21-5-3-2-4-17(21)15-6-7-18-16(9-11-29-22(18)12-15)13-25-20-14-24-10-8-19(20)23(26)27/h2-8,10,12,14,16,25H,9,11,13H2,1H3,(H,26,27).
What are the key properties of 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid?
3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118606488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).