2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride

C8H11ClN4O — CID 173367886

IUPAC2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
SMILESCl.NCC(=O)NN=Cc1ccncc1
InChIInChI=1S/C8H10N4O.ClH/c9-5-8(13)12-11-6-7-1-3-10-4-2-7;/h1-4,6H,5,9H2,(H,12,13);1H
InChIKeyPRQCWHRWNYJKSQ-UHFFFAOYSA-N
MW214.66 g/mol
LogP-0.09
Rot. Bonds3

About 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride

2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride (PubChem CID 173367886) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
PubChem CID173367886
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
SMILESCl.NCC(=O)NN=Cc1ccncc1
InChIInChI=1S/C8H10N4O.ClH/c9-5-8(13)12-11-6-7-1-3-10-4-2-7;/h1-4,6H,5,9H2,(H,12,13);1H
InChIKeyPRQCWHRWNYJKSQ-UHFFFAOYSA-N
XLogP-0.09
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(pyridin-4-ylmethylideneamino)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

N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6132610
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 90766440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride (CID 173367886) is 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride is Cl.NCC(=O)NN=Cc1ccncc1.
What is the InChIKey of 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride?
The InChIKey is PRQCWHRWNYJKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O.ClH/c9-5-8(13)12-11-6-7-1-3-10-4-2-7;/h1-4,6H,5,9H2,(H,12,13);1H.
What are the key properties of 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride?
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride has a molecular weight of 214.66 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride is sourced from PubChem (CID 173367886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).