N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide

C21H31N3O2 — CID 67467847

IUPACN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
SMILESCC1(O)CCC(N(C(=O)c2cccc(N3CCCCC3)n2)C2CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-21(26)12-10-17(11-13-21)24(16-8-9-16)20(25)18-6-5-7-19(22-18)23-14-3-2-4-15-23/h5-7,16-17,26H,2-4,8-15H2,1H3
InChIKeyFLHXPCNIEHEJGM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.37
Rot. Bonds4

About N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide

N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 67467847) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
PubChem CID67467847
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
SMILESCC1(O)CCC(N(C(=O)c2cccc(N3CCCCC3)n2)C2CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-21(26)12-10-17(11-13-21)24(16-8-9-16)20(25)18-6-5-7-19(22-18)23-14-3-2-4-15-23/h5-7,16-17,26H,2-4,8-15H2,1H3
InChIKeyFLHXPCNIEHEJGM-UHFFFAOYSA-N
XLogP3.37
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide (CID 67467847) is N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide is CC1(O)CCC(N(C(=O)c2cccc(N3CCCCC3)n2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is FLHXPCNIEHEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-21(26)12-10-17(11-13-21)24(16-8-9-16)20(25)18-6-5-7-19(22-18)23-14-3-2-4-15-23/h5-7,16-17,26H,2-4,8-15H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide?
N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 67467847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).