N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide

C14H22N2O2 — CID 111485413

IUPACN-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccccn1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-8-14(3,18)10-16-13(17)12-6-4-5-9-15-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyCRYKPYOPQLVJBD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds6

About N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide (PubChem CID 111485413) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
PubChem CID111485413
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccccn1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-8-14(3,18)10-16-13(17)12-6-4-5-9-15-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyCRYKPYOPQLVJBD-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111455276
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
1-benzyl-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450167
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111485349
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide (CID 111485413) is N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1ccccn1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide?
The InChIKey is CRYKPYOPQLVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)7-8-14(3,18)10-16-13(17)12-6-4-5-9-15-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide is sourced from PubChem (CID 111485413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).