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

C24H24N4O2 — CID 91526036

IUPAC3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1occc1C#N
InChIInChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-19(28-12-10-27(2)11-13-28)7-8-22(21)26-24(29)23-18(16-25)9-14-30-23/h3-9,14-15H,10-13H2,1-2H3,(H,26,29)
InChIKeyLYMGHXNIQKXOTD-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.13
Rot. Bonds4

About 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 91526036) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID91526036
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1occc1C#N
InChIInChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-19(28-12-10-27(2)11-13-28)7-8-22(21)26-24(29)23-18(16-25)9-14-30-23/h3-9,14-15H,10-13H2,1-2H3,(H,26,29)
InChIKeyLYMGHXNIQKXOTD-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

5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 11545796
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
2-(2-cyanophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31305221
3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide
CID 91298034
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
N-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]furan-2-carboxamide
CID 18158972
4-(4-methylpiperazin-1-yl)benzene-1,2-dicarbonitrile
CID 21029583
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)benzoic acid
CID 162621439
(E)-3-(4-cyanophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 24635317
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 18189625

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 91526036) is 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1occc1C#N.
What is the InChIKey of 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is LYMGHXNIQKXOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-19(28-12-10-27(2)11-13-28)7-8-22(21)26-24(29)23-18(16-25)9-14-30-23/h3-9,14-15H,10-13H2,1-2H3,(H,26,29).
What are the key properties of 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
3-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 3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 91526036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).