5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid

C29H26N6O2 — CID 15658046

IUPAC5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C29H26N6O2/c1-2-16-35(28-26(29(36)37)17-23(18-30-28)21-8-4-3-5-9-21)19-20-12-14-22(15-13-20)24-10-6-7-11-25(24)27-31-33-34-32-27/h3-15,17-18H,2,16,19H2,1H3,(H,36,37)(H,31,32,33,34)
InChIKeyFUHFNXZUWBHTDX-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.71
Rot. Bonds9

About 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid

5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 15658046) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID15658046
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C29H26N6O2/c1-2-16-35(28-26(29(36)37)17-23(18-30-28)21-8-4-3-5-9-21)19-20-12-14-22(15-13-20)24-10-6-7-11-25(24)27-31-33-34-32-27/h3-15,17-18H,2,16,19H2,1H3,(H,36,37)(H,31,32,33,34)
InChIKeyFUHFNXZUWBHTDX-UHFFFAOYSA-N
XLogP5.71
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-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

Related Compounds

A 81988
CID 132387
4-(Butyl((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-5-pyrimidinecarboxylic acid
CID 192314
4-(Propyl{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}amino)pyrimidine-5-carboxylic acid
CID 15657904
2-[prop-2-enyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657947
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657949
6-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657954
4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658041
5-chloro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658043
5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658044
2-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657951
2-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-6-methyl-nicotinic acid
CID 10048997
2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 10408684

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 15658046) is 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FUHFNXZUWBHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-2-16-35(28-26(29(36)37)17-23(18-30-28)21-8-4-3-5-9-21)19-20-12-14-22(15-13-20)24-10-6-7-11-25(24)27-31-33-34-32-27/h3-15,17-18H,2,16,19H2,1H3,(H,36,37)(H,31,32,33,34).
What are the key properties of 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 490.57 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 15658046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).