4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid

C15H19N5O3 — CID 146153211

IUPAC4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NC(=O)c1cccnc1-n1cncn1
InChIInChI=1S/C15H19N5O3/c1-15(2,3)11(7-12(21)22)19-14(23)10-5-4-6-17-13(10)20-9-16-8-18-20/h4-6,8-9,11H,7H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyNAICRYNUILKHCO-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.28
Rot. Bonds5

About 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid

4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid (PubChem CID 146153211) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid
PubChem CID146153211
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NC(=O)c1cccnc1-n1cncn1
InChIInChI=1S/C15H19N5O3/c1-15(2,3)11(7-12(21)22)19-14(23)10-5-4-6-17-13(10)20-9-16-8-18-20/h4-6,8-9,11H,7H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyNAICRYNUILKHCO-UHFFFAOYSA-N
XLogP1.28
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid (CID 146153211) is 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid is CC(C)(C)C(CC(=O)O)NC(=O)c1cccnc1-n1cncn1.
What is the InChIKey of 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The InChIKey is NAICRYNUILKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-15(2,3)11(7-12(21)22)19-14(23)10-5-4-6-17-13(10)20-9-16-8-18-20/h4-6,8-9,11H,7H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid?
4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 146153211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).