N-(cyanomethyl)-N'-pyridin-3-yloxamide

C9H8N4O2 — CID 43315640

IUPACN-(cyanomethyl)-N'-pyridin-3-yloxamide
SMILESN#CCNC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C9H8N4O2/c10-3-5-12-8(14)9(15)13-7-2-1-4-11-6-7/h1-2,4,6H,5H2,(H,12,14)(H,13,15)
InChIKeyQWEOCKMNMCMPOP-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.34
Rot. Bonds2

About N-(cyanomethyl)-N'-pyridin-3-yloxamide

N-(cyanomethyl)-N'-pyridin-3-yloxamide (PubChem CID 43315640) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-pyridin-3-yloxamide
PubChem CID43315640
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-(cyanomethyl)-N'-pyridin-3-yloxamide
SMILESN#CCNC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C9H8N4O2/c10-3-5-12-8(14)9(15)13-7-2-1-4-11-6-7/h1-2,4,6H,5H2,(H,12,14)(H,13,15)
InChIKeyQWEOCKMNMCMPOP-UHFFFAOYSA-N
XLogP-0.34
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
[4-[[2-oxo-2-(pyridin-3-ylamino)acetyl]amino]phenyl] thiocyanate
CID 108526001
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
N-pyridin-3-ylprop-2-ynamide
CID 130904210
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-N'-pyridin-3-yloxamide
CID 97414759
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
N'-(3-butan-2-yloxyphenyl)-N-(cyanomethyl)oxamide
CID 62328417
N-(cyanomethyl)-N'-(4-methylsulfonylphenyl)oxamide
CID 43315997
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N-(cyanomethyl)-N'-pyridin-3-yloxamide (CID 43315640) is N-(cyanomethyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N-(cyanomethyl)-N'-pyridin-3-yloxamide is N#CCNC(=O)C(=O)Nc1cccnc1.
What is the InChIKey of N-(cyanomethyl)-N'-pyridin-3-yloxamide?
The InChIKey is QWEOCKMNMCMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-3-5-12-8(14)9(15)13-7-2-1-4-11-6-7/h1-2,4,6H,5H2,(H,12,14)(H,13,15).
What are the key properties of N-(cyanomethyl)-N'-pyridin-3-yloxamide?
N-(cyanomethyl)-N'-pyridin-3-yloxamide has a molecular weight of 204.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 43315640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).