5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid

C18H23N5O3 — CID 166382829

IUPAC5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid
SMILESC[C@H](Cn1cc(-c2ccc(C(=O)O)nc2)nn1)NC(=O)C(C)(C)C1CC1
InChIInChI=1S/C18H23N5O3/c1-11(20-17(26)18(2,3)13-5-6-13)9-23-10-15(21-22-23)12-4-7-14(16(24)25)19-8-12/h4,7-8,10-11,13H,5-6,9H2,1-3H3,(H,20,26)(H,24,25)/t11-/m1/s1
InChIKeyAUQHMKGTNPBRPF-LLVKDONJSA-N
MW357.41 g/mol
LogP1.98
Rot. Bonds7

About 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid

5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 166382829) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid
PubChem CID166382829
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid
SMILESC[C@H](Cn1cc(-c2ccc(C(=O)O)nc2)nn1)NC(=O)C(C)(C)C1CC1
InChIInChI=1S/C18H23N5O3/c1-11(20-17(26)18(2,3)13-5-6-13)9-23-10-15(21-22-23)12-4-7-14(16(24)25)19-8-12/h4,7-8,10-11,13H,5-6,9H2,1-3H3,(H,20,26)(H,24,25)/t11-/m1/s1
InChIKeyAUQHMKGTNPBRPF-LLVKDONJSA-N
XLogP1.98
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-[1-[2-oxo-2-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)ethyl]triazol-4-yl]pyridine-2-carboxylic acid
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5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
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4-[1-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]triazol-4-yl]benzoic acid
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5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132
1-(2-methylbutyl)triazole-4-carboxylic acid
CID 62103315
2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine
CID 167805491
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
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1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid (CID 166382829) is 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid is C[C@H](Cn1cc(-c2ccc(C(=O)O)nc2)nn1)NC(=O)C(C)(C)C1CC1.
What is the InChIKey of 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is AUQHMKGTNPBRPF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(20-17(26)18(2,3)13-5-6-13)9-23-10-15(21-22-23)12-4-7-14(16(24)25)19-8-12/h4,7-8,10-11,13H,5-6,9H2,1-3H3,(H,20,26)(H,24,25)/t11-/m1/s1.
What are the key properties of 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid?
5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2R)-2-[(2-cyclopropyl-2-methylpropanoyl)amino]propyl]triazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).