5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

C13H21N3O2 — CID 81316339

IUPAC5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)6-13(3,18)8-16-12(17)11-5-4-10(14)7-15-11/h4-5,7,9,18H,6,8,14H2,1-3H3,(H,16,17)
InChIKeyFHUBCPXONDOXES-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds5

About 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 81316339) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
PubChem CID81316339
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)6-13(3,18)8-16-12(17)11-5-4-10(14)7-15-11/h4-5,7,9,18H,6,8,14H2,1-3H3,(H,16,17)
InChIKeyFHUBCPXONDOXES-UHFFFAOYSA-N
XLogP1.19
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 81317367
5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66178693
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 80555177
1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 66179142

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (CID 81316339) is 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is CC(C)CC(C)(O)CNC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is FHUBCPXONDOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)6-13(3,18)8-16-12(17)11-5-4-10(14)7-15-11/h4-5,7,9,18H,6,8,14H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 81316339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).