(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide

C9H7ClN4O2 — CID 134122207

IUPAC(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCO/N=C(/C#N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H7ClN4O2/c1-16-14-7(4-11)9(15)13-8-3-2-6(10)5-12-8/h2-3,5H,1H3,(H,12,13,15)/b14-7-
InChIKeyVJJSLGOGVBDLIJ-AUWJEWJLSA-N
MW238.63 g/mol
LogP1.20
Rot. Bonds3

About (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide

(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide (PubChem CID 134122207) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
PubChem CID134122207
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCO/N=C(/C#N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H7ClN4O2/c1-16-14-7(4-11)9(15)13-8-3-2-6(10)5-12-8/h2-3,5H,1H3,(H,12,13,15)/b14-7-
InChIKeyVJJSLGOGVBDLIJ-AUWJEWJLSA-N
XLogP1.20
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide with MolForge

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Related Compounds

2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
CID 140862093
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
CID 153335046
N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
CID 44996125
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 51545374
[(5-chloro-2-pyridinyl)amino] acetate
CID 55278960
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-cyano-N-propan-2-ylprop-2-enamide
CID 108829814

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide (CID 134122207) is (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide is CO/N=C(/C#N)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide?
The InChIKey is VJJSLGOGVBDLIJ-AUWJEWJLSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-16-14-7(4-11)9(15)13-8-3-2-6(10)5-12-8/h2-3,5H,1H3,(H,12,13,15)/b14-7-.
What are the key properties of (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide?
(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide has a molecular weight of 238.63 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 134122207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).