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

C24H24N6O2 — CID 15658041

IUPAC4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc(C)c1C(=O)O
InChIInChI=1S/C24H24N6O2/c1-3-14-30(23-21(24(31)32)16(2)12-13-25-23)15-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,31,32)(H,26,27,28,29)
InChIKeyISQDDSYNICWABK-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.35
Rot. Bonds8

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

4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 15658041) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID15658041
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc(C)c1C(=O)O
InChIInChI=1S/C24H24N6O2/c1-3-14-30(23-21(24(31)32)16(2)12-13-25-23)15-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,31,32)(H,26,27,28,29)
InChIKeyISQDDSYNICWABK-UHFFFAOYSA-N
XLogP4.35
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 15658041) is 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc(C)c1C(=O)O.
What is the InChIKey of 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ISQDDSYNICWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-14-30(23-21(24(31)32)16(2)12-13-25-23)15-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,31,32)(H,26,27,28,29).
What are the key properties of 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 428.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 15658041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).