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

C23H23N7O2 — CID 15658048

IUPAC5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C23H23N7O2/c1-2-11-30(22-20(23(31)32)12-17(24)13-25-22)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-10,12-13H,2,11,14,24H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKeySXTLLAYKMPLFHX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.63
Rot. Bonds8

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

5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 15658048) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID15658048
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C23H23N7O2/c1-2-11-30(22-20(23(31)32)12-17(24)13-25-22)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-10,12-13H,2,11,14,24H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKeySXTLLAYKMPLFHX-UHFFFAOYSA-N
XLogP3.63
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 15658048) is 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-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(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is SXTLLAYKMPLFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-2-11-30(22-20(23(31)32)12-17(24)13-25-22)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-10,12-13H,2,11,14,24H2,1H3,(H,31,32)(H,26,27,28,29).
What are the key properties of 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 15658048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).