N-(cyanomethyl)-N'-quinolin-6-yloxamide

C13H10N4O2 — CID 62634263

IUPACN-(cyanomethyl)-N'-quinolin-6-yloxamide
SMILESN#CCNC(=O)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C13H10N4O2/c14-5-7-16-12(18)13(19)17-10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8H,7H2,(H,16,18)(H,17,19)
InChIKeyQVIQAPKFFQGYIN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.81
Rot. Bonds2

About N-(cyanomethyl)-N'-quinolin-6-yloxamide

N-(cyanomethyl)-N'-quinolin-6-yloxamide (PubChem CID 62634263) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-quinolin-6-yloxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-quinolin-6-yloxamide
PubChem CID62634263
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(cyanomethyl)-N'-quinolin-6-yloxamide
SMILESN#CCNC(=O)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C13H10N4O2/c14-5-7-16-12(18)13(19)17-10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8H,7H2,(H,16,18)(H,17,19)
InChIKeyQVIQAPKFFQGYIN-UHFFFAOYSA-N
XLogP0.81
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.81
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

N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
CID 43315781
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
N-quinolin-6-ylbenzamide
CID 833617
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
quinolin-6-ylthiourea
CID 1480925
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide
CID 86996884
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-quinolin-6-yloxamide?
The IUPAC name of N-(cyanomethyl)-N'-quinolin-6-yloxamide (CID 62634263) is N-(cyanomethyl)-N'-quinolin-6-yloxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-quinolin-6-yloxamide?
The canonical SMILES for N-(cyanomethyl)-N'-quinolin-6-yloxamide is N#CCNC(=O)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of N-(cyanomethyl)-N'-quinolin-6-yloxamide?
The InChIKey is QVIQAPKFFQGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-5-7-16-12(18)13(19)17-10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8H,7H2,(H,16,18)(H,17,19).
What are the key properties of N-(cyanomethyl)-N'-quinolin-6-yloxamide?
N-(cyanomethyl)-N'-quinolin-6-yloxamide has a molecular weight of 254.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-quinolin-6-yloxamide is sourced from PubChem (CID 62634263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).