5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid

C18H26N2O3 — CID 122056442

IUPAC5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cn1
InChIInChI=1S/C18H26N2O3/c1-13-7-8-15(12-19-13)18(23)20-16(9-10-17(21)22)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyTWAWIGCBHRNFFA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.32
Rot. Bonds7

About 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 122056442) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID122056442
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cn1
InChIInChI=1S/C18H26N2O3/c1-13-7-8-15(12-19-13)18(23)20-16(9-10-17(21)22)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyTWAWIGCBHRNFFA-UHFFFAOYSA-N
XLogP3.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid (CID 122056442) is 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid is Cc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is TWAWIGCBHRNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-7-8-15(12-19-13)18(23)20-16(9-10-17(21)22)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).