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

C22H26N4O3 — CID 71010849

IUPAC5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC=C(C#N)O3)c(C3=CCOCC3)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-25-8-10-26(11-9-25)17-2-4-20(19(14-17)16-6-12-28-13-7-16)24-22(27)21-5-3-18(15-23)29-21/h2-4,6,14,21H,5,7-13H2,1H3,(H,24,27)
InChIKeyGTTXXKBTHBACSW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.38
Rot. Bonds4

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

5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide (PubChem CID 71010849) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide
PubChem CID71010849
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC=C(C#N)O3)c(C3=CCOCC3)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-25-8-10-26(11-9-25)17-2-4-20(19(14-17)16-6-12-28-13-7-16)24-22(27)21-5-3-18(15-23)29-21/h2-4,6,14,21H,5,7-13H2,1H3,(H,24,27)
InChIKeyGTTXXKBTHBACSW-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(3,4-dimethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 143377413
5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 11545796
3-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 91526036
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143452423
4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-3H-pyrrole-2-carboxamide
CID 24883278
(E)-3-(4-cyanophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 24635317
5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 111102213
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
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-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide (CID 71010849) is 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide is CN1CCN(c2ccc(NC(=O)C3CC=C(C#N)O3)c(C3=CCOCC3)c2)CC1.
What is the InChIKey of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide?
The InChIKey is GTTXXKBTHBACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25-8-10-26(11-9-25)17-2-4-20(19(14-17)16-6-12-28-13-7-16)24-22(27)21-5-3-18(15-23)29-21/h2-4,6,14,21H,5,7-13H2,1H3,(H,24,27).
What are the key properties of 5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide?
5-cyano-N-[2-(3,6-dihydro-2H-pyran-4-yl)-4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.38, 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-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 71010849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).