4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide

C14H13N3O2 — CID 86187318

IUPAC4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCON(C)C(=O)c1ccc(C#N)c(-n2cccc2)c1
InChIInChI=1S/C14H13N3O2/c1-16(19-2)14(18)11-5-6-12(10-15)13(9-11)17-7-3-4-8-17/h3-9H,1-2H3
InChIKeyOZDOMOQAJZCBGN-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.98
Rot. Bonds3

About 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide

4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 86187318) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide
PubChem CID86187318
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCON(C)C(=O)c1ccc(C#N)c(-n2cccc2)c1
InChIInChI=1S/C14H13N3O2/c1-16(19-2)14(18)11-5-6-12(10-15)13(9-11)17-7-3-4-8-17/h3-9H,1-2H3
InChIKeyOZDOMOQAJZCBGN-UHFFFAOYSA-N
XLogP1.98
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 175911856
CID 87529110
CID 87529110
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
N-methoxy-N-methyl-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 171682360
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
N-methoxy-N-methyl-1-benzofuran-5-carboxamide
CID 59186071
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 18129571

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide (CID 86187318) is 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide is CON(C)C(=O)c1ccc(C#N)c(-n2cccc2)c1.
What is the InChIKey of 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is OZDOMOQAJZCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16(19-2)14(18)11-5-6-12(10-15)13(9-11)17-7-3-4-8-17/h3-9H,1-2H3.
What are the key properties of 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide?
4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 255.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 86187318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).