3-cyano-6-methoxy-2-methylbenzamide

C10H10N2O2 — CID 171026852

IUPAC3-cyano-6-methoxy-2-methylbenzamide
SMILESCOc1ccc(C#N)c(C)c1C(N)=O
InChIInChI=1S/C10H10N2O2/c1-6-7(5-11)3-4-8(14-2)9(6)10(12)13/h3-4H,1-2H3,(H2,12,13)
InChIKeyNPIWWFBMECNYQH-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.97
Rot. Bonds2

About 3-cyano-6-methoxy-2-methylbenzamide

3-cyano-6-methoxy-2-methylbenzamide (PubChem CID 171026852) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-cyano-6-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name3-cyano-6-methoxy-2-methylbenzamide
PubChem CID171026852
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-cyano-6-methoxy-2-methylbenzamide
SMILESCOc1ccc(C#N)c(C)c1C(N)=O
InChIInChI=1S/C10H10N2O2/c1-6-7(5-11)3-4-8(14-2)9(6)10(12)13/h3-4H,1-2H3,(H2,12,13)
InChIKeyNPIWWFBMECNYQH-UHFFFAOYSA-N
XLogP0.97
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
methyl 2-amino-3-cyano-6-methoxybenzoate
CID 178130883
3-chloro-4-methoxy-2-methylbenzonitrile
CID 163388900
2-(aminomethyl)-6-cyano-3-methoxybenzoic acid
CID 134651893
3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
CID 23195916
2-(2-bromoacetyl)-3-hydroxy-4-methoxybenzonitrile
CID 171021108
3-cyano-2-fluoro-6-methoxybenzoyl chloride
CID 171022041
2-acetyl-3-chloro-4-methoxybenzonitrile
CID 171003277

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-methoxy-2-methylbenzamide?
The IUPAC name of 3-cyano-6-methoxy-2-methylbenzamide (CID 171026852) is 3-cyano-6-methoxy-2-methylbenzamide.
What is the SMILES notation for 3-cyano-6-methoxy-2-methylbenzamide?
The canonical SMILES for 3-cyano-6-methoxy-2-methylbenzamide is COc1ccc(C#N)c(C)c1C(N)=O.
What is the InChIKey of 3-cyano-6-methoxy-2-methylbenzamide?
The InChIKey is NPIWWFBMECNYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-7(5-11)3-4-8(14-2)9(6)10(12)13/h3-4H,1-2H3,(H2,12,13).
What are the key properties of 3-cyano-6-methoxy-2-methylbenzamide?
3-cyano-6-methoxy-2-methylbenzamide has a molecular weight of 190.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-methoxy-2-methylbenzamide is sourced from PubChem (CID 171026852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).