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

C22H20N6O2 — CID 10408684

IUPAC2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O
InChIInChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27)
InChIKeyRXKTYMCGYUSQFW-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.65
Rot. Bonds7

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

2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 10408684) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID10408684
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O
InChIInChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27)
InChIKeyRXKTYMCGYUSQFW-UHFFFAOYSA-N
XLogP3.65
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 10408684) is 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is CCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O.
What is the InChIKey of 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is RXKTYMCGYUSQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27).
What are the key properties of 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 400.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10408684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).