4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid

C23H26N6O4 — CID 46225508

IUPAC4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2cccc(O)c2)n1
InChIInChI=1S/C23H26N6O4/c1-14-9-18(11-20(25-14)22(31)24-12-16-3-2-4-19(30)10-16)21-26-28-29(27-21)13-15-5-7-17(8-6-15)23(32)33/h2-4,9-11,15,17,30H,5-8,12-13H2,1H3,(H,24,31)(H,32,33)
InChIKeyTYFKAJNWVJBSGT-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.57
Rot. Bonds7

About 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid

4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 46225508) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID46225508
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2cccc(O)c2)n1
InChIInChI=1S/C23H26N6O4/c1-14-9-18(11-20(25-14)22(31)24-12-16-3-2-4-19(30)10-16)21-26-28-29(27-21)13-15-5-7-17(8-6-15)23(32)33/h2-4,9-11,15,17,30H,5-8,12-13H2,1H3,(H,24,31)(H,32,33)
InChIKeyTYFKAJNWVJBSGT-UHFFFAOYSA-N
XLogP2.57
TPSA143.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid (CID 46225508) is 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid is Cc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2cccc(O)c2)n1.
What is the InChIKey of 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is TYFKAJNWVJBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-14-9-18(11-20(25-14)22(31)24-12-16-3-2-4-19(30)10-16)21-26-28-29(27-21)13-15-5-7-17(8-6-15)23(32)33/h2-4,9-11,15,17,30H,5-8,12-13H2,1H3,(H,24,31)(H,32,33).
What are the key properties of 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 450.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 46225508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).