2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid

C25H26N6O2 — CID 10048997

IUPAC2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30)
InChIKeyZJSMWZXSSHENTD-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.74
Rot. Bonds9

About 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid

2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 10048997) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid
PubChem CID10048997
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30)
InChIKeyZJSMWZXSSHENTD-UHFFFAOYSA-N
XLogP4.74
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid with MolForge

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Related Compounds

A 81988
CID 132387
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-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 10408684
methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate
CID 10873643
2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657948
2-[3-methylbutyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657950

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid (CID 10048997) is 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid is CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZJSMWZXSSHENTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30).
What are the key properties of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid?
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 442.52 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 10048997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).