3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide

C17H26N2O3 — CID 23566755

IUPAC3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC2CC(C)(C)C(O)C(C)(C)C2)c1O
InChIInChI=1S/C17H26N2O3/c1-10-6-7-18-12(13(10)20)14(21)19-11-8-16(2,3)15(22)17(4,5)9-11/h6-7,11,15,20,22H,8-9H2,1-5H3,(H,19,21)
InChIKeyUXNRDFHBQWTMLN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.40
Rot. Bonds2

About 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide

3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide (PubChem CID 23566755) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
PubChem CID23566755
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC2CC(C)(C)C(O)C(C)(C)C2)c1O
InChIInChI=1S/C17H26N2O3/c1-10-6-7-18-12(13(10)20)14(21)19-11-8-16(2,3)15(22)17(4,5)9-11/h6-7,11,15,20,22H,8-9H2,1-5H3,(H,19,21)
InChIKeyUXNRDFHBQWTMLN-UHFFFAOYSA-N
XLogP2.40
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide (CID 23566755) is 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NC2CC(C)(C)C(O)C(C)(C)C2)c1O.
What is the InChIKey of 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide?
The InChIKey is UXNRDFHBQWTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10-6-7-18-12(13(10)20)14(21)19-11-8-16(2,3)15(22)17(4,5)9-11/h6-7,11,15,20,22H,8-9H2,1-5H3,(H,19,21).
What are the key properties of 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide?
3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 23566755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).