5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide

C23H26N4O3 — CID 143377413

IUPAC5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCOCC3)c2)CCN1C
InChIInChI=1S/C23H26N4O3/c1-16-15-27(10-9-26(16)2)18-3-5-21(20(13-18)17-7-11-29-12-8-17)25-23(28)22-6-4-19(14-24)30-22/h3-7,13,16H,8-12,15H2,1-2H3,(H,25,28)
InChIKeyPOHPGMUGIVAAQT-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.35
Rot. Bonds4

About 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 143377413) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID143377413
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCOCC3)c2)CCN1C
InChIInChI=1S/C23H26N4O3/c1-16-15-27(10-9-26(16)2)18-3-5-21(20(13-18)17-7-11-29-12-8-17)25-23(28)22-6-4-19(14-24)30-22/h3-7,13,16H,8-12,15H2,1-2H3,(H,25,28)
InChIKeyPOHPGMUGIVAAQT-UHFFFAOYSA-N
XLogP3.35
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 143377413) is 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide is CC1CN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCOCC3)c2)CCN1C.
What is the InChIKey of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is POHPGMUGIVAAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-15-27(10-9-26(16)2)18-3-5-21(20(13-18)17-7-11-29-12-8-17)25-23(28)22-6-4-19(14-24)30-22/h3-7,13,16H,8-12,15H2,1-2H3,(H,25,28).
What are the key properties of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 143377413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).