N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide

C16H12N4O2 — CID 168542050

IUPACN-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC=C(C#N)C#N)cc2)o1
InChIInChI=1S/C16H12N4O2/c1-11-2-7-15(22-11)16(21)20-14-5-3-13(4-6-14)19-10-12(8-17)9-18/h2-7,10,19H,1H3,(H,20,21)
InChIKeyWLBGUTMGHLRGRD-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.18
Rot. Bonds4

About N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide

N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 168542050) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
PubChem CID168542050
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC=C(C#N)C#N)cc2)o1
InChIInChI=1S/C16H12N4O2/c1-11-2-7-15(22-11)16(21)20-14-5-3-13(4-6-14)19-10-12(8-17)9-18/h2-7,10,19H,1H3,(H,20,21)
InChIKeyWLBGUTMGHLRGRD-UHFFFAOYSA-N
XLogP3.18
TPSA101.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460
methyl 5-[4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxylate
CID 168542399
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168597625
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179
2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide
CID 168545042

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide (CID 168542050) is N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC=C(C#N)C#N)cc2)o1.
What is the InChIKey of N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is WLBGUTMGHLRGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-11-2-7-15(22-11)16(21)20-14-5-3-13(4-6-14)19-10-12(8-17)9-18/h2-7,10,19H,1H3,(H,20,21).
What are the key properties of N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide?
N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 168542050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).