acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride

C17H26ClN5O3 — CID 159103245

IUPACacetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride
SMILESCC(=O)CNc1ncccc1C.CC(=O)O.Cc1cccnc1NN.Cl
InChIInChI=1S/C9H12N2O.C6H9N3.C2H4O2.ClH/c1-7-4-3-5-10-9(7)11-6-8(2)12;1-5-3-2-4-8-6(5)9-7;1-2(3)4;/h3-5H,6H2,1-2H3,(H,10,11);2-4H,7H2,1H3,(H,8,9);1H3,(H,3,4);1H
InChIKeyFLYNLIZUFXKWSV-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.58
Rot. Bonds4

About acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride

acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride (PubChem CID 159103245) has the molecular formula C17H26ClN5O3 and a molecular weight of 383.88 g/mol. Its IUPAC name is acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride.

Molecular Properties

Compound Nameacetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride
PubChem CID159103245
Molecular FormulaC17H26ClN5O3
Molecular Weight383.88 g/mol
Exact Mass383.17
IUPAC Nameacetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride
SMILESCC(=O)CNc1ncccc1C.CC(=O)O.Cc1cccnc1NN.Cl
InChIInChI=1S/C9H12N2O.C6H9N3.C2H4O2.ClH/c1-7-4-3-5-10-9(7)11-6-8(2)12;1-5-3-2-4-8-6(5)9-7;1-2(3)4;/h3-5H,6H2,1-2H3,(H,10,11);2-4H,7H2,1H3,(H,8,9);1H3,(H,3,4);1H
InChIKeyFLYNLIZUFXKWSV-UHFFFAOYSA-N
XLogP2.58
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
5-hydrazinyl-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 104642234
2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride?
The IUPAC name of acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride (CID 159103245) is acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride.
What is the SMILES notation for acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride?
The canonical SMILES for acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride is CC(=O)CNc1ncccc1C.CC(=O)O.Cc1cccnc1NN.Cl.
What is the InChIKey of acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride?
The InChIKey is FLYNLIZUFXKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C6H9N3.C2H4O2.ClH/c1-7-4-3-5-10-9(7)11-6-8(2)12;1-5-3-2-4-8-6(5)9-7;1-2(3)4;/h3-5H,6H2,1-2H3,(H,10,11);2-4H,7H2,1H3,(H,8,9);1H3,(H,3,4);1H.
What are the key properties of acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride?
acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride is sourced from PubChem (CID 159103245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).