N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide

C13H11N3O2 — CID 114818637

IUPACN-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C#N)co1
InChIInChI=1S/C13H11N3O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-11(15)5-9(12)6-14/h2-5,7H,15H2,1H3,(H,16,17)
InChIKeyOVNFOXXQNYLERV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.29
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide

N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide (PubChem CID 114818637) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
PubChem CID114818637
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C#N)co1
InChIInChI=1S/C13H11N3O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-11(15)5-9(12)6-14/h2-5,7H,15H2,1H3,(H,16,17)
InChIKeyOVNFOXXQNYLERV-UHFFFAOYSA-N
XLogP2.29
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669159
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide (CID 114818637) is N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N)cc2C#N)co1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide?
The InChIKey is OVNFOXXQNYLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-11(15)5-9(12)6-14/h2-5,7H,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide?
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).