5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

C24H24N4O2 — CID 11545796

IUPAC5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1
InChIInChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-18(28-13-11-27(2)12-14-28)7-9-22(21)26-24(29)23-10-8-19(16-25)30-23/h3-10,15H,11-14H2,1-2H3,(H,26,29)
InChIKeyGXQMEGDUUBFCFH-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.13
Rot. Bonds4

About 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 11545796) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID11545796
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1
InChIInChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-18(28-13-11-27(2)12-14-28)7-9-22(21)26-24(29)23-10-8-19(16-25)30-23/h3-10,15H,11-14H2,1-2H3,(H,26,29)
InChIKeyGXQMEGDUUBFCFH-UHFFFAOYSA-N
XLogP4.13
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 91526036
5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 143377413
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
CID 11698112
5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 11682945
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
5-[2-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007562
5-[2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007561
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)benzoic acid
CID 162621439
2-(2-cyanophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31305221

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 11545796) is 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1.
What is the InChIKey of 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is GXQMEGDUUBFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-18(28-13-11-27(2)12-14-28)7-9-22(21)26-24(29)23-10-8-19(16-25)30-23/h3-10,15H,11-14H2,1-2H3,(H,26,29).
What are the key properties of 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 11545796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).