N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide

C20H16N4O2 — CID 155481992

IUPACN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cccc(C#N)c2C)ccc1N
InChIInChI=1S/C20H16N4O2/c1-12-13(10-21)3-2-4-16(12)20(25)24-15-5-6-18(22)17(9-15)19(23)14-7-8-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+
InChIKeyMYVYJAHDLRBYDY-FCDQGJHFSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds4

About N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide (PubChem CID 155481992) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
PubChem CID155481992
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cccc(C#N)c2C)ccc1N
InChIInChI=1S/C20H16N4O2/c1-12-13(10-21)3-2-4-16(12)20(25)24-15-5-6-18(22)17(9-15)19(23)14-7-8-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+
InChIKeyMYVYJAHDLRBYDY-FCDQGJHFSA-N
XLogP3.71
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
CID 155482453
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-ethynyl-1,2-thiazole-3-carboxamide
CID 155574901
3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 167698553
N-[4-amino-3-(1-methyl-2-oxopyridine-3-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482657
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155135077
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide?
The IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide (CID 155481992) is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide.
What is the SMILES notation for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide?
The canonical SMILES for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cccc(C#N)c2C)ccc1N.
What is the InChIKey of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide?
The InChIKey is MYVYJAHDLRBYDY-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-13(10-21)3-2-4-16(12)20(25)24-15-5-6-18(22)17(9-15)19(23)14-7-8-26-11-14/h2-9,11,23H,22H2,1H3,(H,24,25)/b23-19+.
What are the key properties of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide?
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide is sourced from PubChem (CID 155481992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).