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

C24H22N6O2 — CID 15657948

IUPAC2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)CC1CC1
InChIInChI=1S/C24H22N6O2/c31-24(32)21-6-3-13-25-23(21)30(14-16-7-8-16)15-17-9-11-18(12-10-17)19-4-1-2-5-20(19)22-26-28-29-27-22/h1-6,9-13,16H,7-8,14-15H2,(H,31,32)(H,26,27,28,29)
InChIKeyTYTPFTUWWYOOMZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.04
Rot. Bonds8

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

2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 15657948) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID15657948
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)CC1CC1
InChIInChI=1S/C24H22N6O2/c31-24(32)21-6-3-13-25-23(21)30(14-16-7-8-16)15-17-9-11-18(12-10-17)19-4-1-2-5-20(19)22-26-28-29-27-22/h1-6,9-13,16H,7-8,14-15H2,(H,31,32)(H,26,27,28,29)
InChIKeyTYTPFTUWWYOOMZ-UHFFFAOYSA-N
XLogP4.04
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 15657948) is 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is TYTPFTUWWYOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24(32)21-6-3-13-25-23(21)30(14-16-7-8-16)15-17-9-11-18(12-10-17)19-4-1-2-5-20(19)22-26-28-29-27-22/h1-6,9-13,16H,7-8,14-15H2,(H,31,32)(H,26,27,28,29).
What are the key properties of 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?
2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 426.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 15657948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).