6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid

C16H21N5O2 — CID 122054672

IUPAC6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)n1cnnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-10-17-19-15(21)12-6-8-20(9-7-12)14-5-3-4-13(18-14)16(22)23/h3-5,10-12H,6-9H2,1-2H3,(H,22,23)
InChIKeyQBNWVWBIXHRHTB-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.34
Rot. Bonds4

About 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054672) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054672
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)n1cnnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-10-17-19-15(21)12-6-8-20(9-7-12)14-5-3-4-13(18-14)16(22)23/h3-5,10-12H,6-9H2,1-2H3,(H,22,23)
InChIKeyQBNWVWBIXHRHTB-UHFFFAOYSA-N
XLogP2.34
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 166406125
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053727
6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 122057509
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122054672) is 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid is CC(C)n1cnnc1C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is QBNWVWBIXHRHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)21-10-17-19-15(21)12-6-8-20(9-7-12)14-5-3-4-13(18-14)16(22)23/h3-5,10-12H,6-9H2,1-2H3,(H,22,23).
What are the key properties of 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).