N-(2,4-dicyano-6-methylphenyl)formamide

C10H7N3O — CID 168651715

IUPACN-(2,4-dicyano-6-methylphenyl)formamide
SMILESCc1cc(C#N)cc(C#N)c1NC=O
InChIInChI=1S/C10H7N3O/c1-7-2-8(4-11)3-9(5-12)10(7)13-6-14/h2-3,6H,1H3,(H,13,14)
InChIKeyCPUBUBXGTJQPLB-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.31
Rot. Bonds2

About N-(2,4-dicyano-6-methylphenyl)formamide

N-(2,4-dicyano-6-methylphenyl)formamide (PubChem CID 168651715) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(2,4-dicyano-6-methylphenyl)formamide.

Molecular Properties

Compound NameN-(2,4-dicyano-6-methylphenyl)formamide
PubChem CID168651715
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC NameN-(2,4-dicyano-6-methylphenyl)formamide
SMILESCc1cc(C#N)cc(C#N)c1NC=O
InChIInChI=1S/C10H7N3O/c1-7-2-8(4-11)3-9(5-12)10(7)13-6-14/h2-3,6H,1H3,(H,13,14)
InChIKeyCPUBUBXGTJQPLB-UHFFFAOYSA-N
XLogP1.31
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
6-methylbenzene-1,2,4-tricarbonitrile
CID 101082761
4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride
CID 67376397
N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
CID 124926919
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
methyl 4-formamido-3,5-dimethylbenzoate
CID 134546996
tert-butyl N-(4-cyano-2-ethynyl-6-methylphenyl)carbamate
CID 167737859
N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide
CID 146227554
N-(2,4-dibromo-6-methylphenyl)formamide
CID 168652451
N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide
CID 155118620
5-chloro-4-methylbenzene-1,3-dicarbonitrile
CID 90227177
3,5-dimethyl-4-(3-oxopropoxy)benzonitrile
CID 65470226

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dicyano-6-methylphenyl)formamide?
The IUPAC name of N-(2,4-dicyano-6-methylphenyl)formamide (CID 168651715) is N-(2,4-dicyano-6-methylphenyl)formamide.
What is the SMILES notation for N-(2,4-dicyano-6-methylphenyl)formamide?
The canonical SMILES for N-(2,4-dicyano-6-methylphenyl)formamide is Cc1cc(C#N)cc(C#N)c1NC=O.
What is the InChIKey of N-(2,4-dicyano-6-methylphenyl)formamide?
The InChIKey is CPUBUBXGTJQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-7-2-8(4-11)3-9(5-12)10(7)13-6-14/h2-3,6H,1H3,(H,13,14).
What are the key properties of N-(2,4-dicyano-6-methylphenyl)formamide?
N-(2,4-dicyano-6-methylphenyl)formamide has a molecular weight of 185.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dicyano-6-methylphenyl)formamide is sourced from PubChem (CID 168651715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).