N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide

C14H22N2O2 — CID 166438345

IUPACN-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide
SMILESCCCC(C)(CCC)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C14H22N2O2/c1-4-9-14(3,10-5-2)13(17)15-12-8-6-7-11-16(12)18/h6-8,11,18H,4-5,9-10H2,1-3H3/b15-12+
InChIKeyJSOKGNADUDZSFL-NTCAYCPXSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds5

About N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide

N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide (PubChem CID 166438345) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide
PubChem CID166438345
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide
SMILESCCCC(C)(CCC)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C14H22N2O2/c1-4-9-14(3,10-5-2)13(17)15-12-8-6-7-11-16(12)18/h6-8,11,18H,4-5,9-10H2,1-3H3/b15-12+
InChIKeyJSOKGNADUDZSFL-NTCAYCPXSA-N
XLogP2.76
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylbutanamide
CID 166437224
N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide
CID 166385702
2-cyclopentyl-N-(1-hydroxy-2-pyridinylidene)acetamide
CID 166385703
N-(1-hydroxy-2-pyridinylidene)hexanamide
CID 177588899

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide?
The IUPAC name of N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide (CID 166438345) is N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide.
What is the SMILES notation for N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide?
The canonical SMILES for N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide is CCCC(C)(CCC)C(=O)/N=c1\ccccn1O.
What is the InChIKey of N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide?
The InChIKey is JSOKGNADUDZSFL-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-14(3,10-5-2)13(17)15-12-8-6-7-11-16(12)18/h6-8,11,18H,4-5,9-10H2,1-3H3/b15-12+.
What are the key properties of N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide?
N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-pyridinylidene)-2-methyl-2-propylpentanamide is sourced from PubChem (CID 166438345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).