6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid

C17H25N3O2 — CID 122048859

IUPAC6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H25N3O2/c21-17(22)15-7-4-8-16(19-15)18-13-9-11-20(12-10-13)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,18,19)(H,21,22)
InChIKeySGJFHVARACRHMK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.99
Rot. Bonds4

About 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid

6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 122048859) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID122048859
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H25N3O2/c21-17(22)15-7-4-8-16(19-15)18-13-9-11-20(12-10-13)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,18,19)(H,21,22)
InChIKeySGJFHVARACRHMK-UHFFFAOYSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64587755

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (CID 122048859) is 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is SGJFHVARACRHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(22)15-7-4-8-16(19-15)18-13-9-11-20(12-10-13)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,18,19)(H,21,22).
What are the key properties of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).