2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride

C14H14ClN3O2 — CID 88750812

IUPAC2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(C=NO)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H13N3O2.ClH/c18-14(10-16-19)17-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12;/h1-8,10,19H,9H2,(H,17,18);1H
InChIKeyFXUQSWKCDRYKPO-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.49
Rot. Bonds4

About 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride

2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 88750812) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride
PubChem CID88750812
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(C=NO)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H13N3O2.ClH/c18-14(10-16-19)17-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12;/h1-8,10,19H,9H2,(H,17,18);1H
InChIKeyFXUQSWKCDRYKPO-UHFFFAOYSA-N
XLogP2.49
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-(4-butylphenyl)-2-hydroxyiminoacetamide
CID 53405867
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride (CID 88750812) is 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride is Cl.O=C(C=NO)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is FXUQSWKCDRYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.ClH/c18-14(10-16-19)17-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12;/h1-8,10,19H,9H2,(H,17,18);1H.
What are the key properties of 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride?
2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 88750812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).