3-cyano-N-(diaminomethylidene)-4-methoxybenzamide

C10H10N4O2 — CID 23195916

IUPAC3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=C(N)N)cc1C#N
InChIInChI=1S/C10H10N4O2/c1-16-8-3-2-6(4-7(8)5-11)9(15)14-10(12)13/h2-4H,1H3,(H4,12,13,14,15)
InChIKeyNWKOEDIFKJJQIZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.02
Rot. Bonds2

About 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide

3-cyano-N-(diaminomethylidene)-4-methoxybenzamide (PubChem CID 23195916) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
PubChem CID23195916
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=C(N)N)cc1C#N
InChIInChI=1S/C10H10N4O2/c1-16-8-3-2-6(4-7(8)5-11)9(15)14-10(12)13/h2-4H,1H3,(H4,12,13,14,15)
InChIKeyNWKOEDIFKJJQIZ-UHFFFAOYSA-N
XLogP-0.02
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-propanoylbenzonitrile
CID 39238144
methyl 3-cyano-4-hydroxybenzoate;methyl 3-cyano-4-methoxybenzoate
CID 67553335
methyl 4-(3-cyano-4-methoxyphenyl)-4-oxobutanoate
CID 65336300
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
4-(3-cyano-4-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899660
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
propyl 4-(3-cyano-4-methoxyphenyl)-4-oxobutanoate
CID 65336495
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
4-cyano-3-methoxybenzoyl chloride
CID 45081742
5-(1,1-dioxothiolane-3-carbonyl)-2-methoxybenzonitrile
CID 65336107
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide?
The IUPAC name of 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide (CID 23195916) is 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide.
What is the SMILES notation for 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide?
The canonical SMILES for 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide is COc1ccc(C(=O)N=C(N)N)cc1C#N.
What is the InChIKey of 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide?
The InChIKey is NWKOEDIFKJJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-8-3-2-6(4-7(8)5-11)9(15)14-10(12)13/h2-4H,1H3,(H4,12,13,14,15).
What are the key properties of 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide?
3-cyano-N-(diaminomethylidene)-4-methoxybenzamide has a molecular weight of 218.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(diaminomethylidene)-4-methoxybenzamide is sourced from PubChem (CID 23195916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).