N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide

C10H15N2O2+ — CID 142170970

IUPACN-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc[n+](O)cc1
InChIInChI=1S/C10H14N2O2/c1-8(2)7-10(13)11-9-3-5-12(14)6-4-9/h3-6,8,14H,7H2,1-2H3/p+1
InChIKeyNFWVTKBSWHHEJN-UHFFFAOYSA-O
MW195.24 g/mol
LogP1.20
Rot. Bonds3

About N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide

N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide (PubChem CID 142170970) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
PubChem CID142170970
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc[n+](O)cc1
InChIInChI=1S/C10H14N2O2/c1-8(2)7-10(13)11-9-3-5-12(14)6-4-9/h3-6,8,14H,7H2,1-2H3/p+1
InChIKeyNFWVTKBSWHHEJN-UHFFFAOYSA-O
XLogP1.20
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
CID 59463422
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide?
The IUPAC name of N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide (CID 142170970) is N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc[n+](O)cc1.
What is the InChIKey of N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide?
The InChIKey is NFWVTKBSWHHEJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)7-10(13)11-9-3-5-12(14)6-4-9/h3-6,8,14H,7H2,1-2H3/p+1.
What are the key properties of N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide?
N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide has a molecular weight of 195.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide is sourced from PubChem (CID 142170970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).