5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide

C21H25N5O3 — CID 11502118

IUPAC5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H25N5O3/c1-24-6-8-25(9-7-24)16-2-4-18(19(14-16)26-10-12-28-13-11-26)23-21(27)20-5-3-17(15-22)29-20/h2-5,14H,6-13H2,1H3,(H,23,27)
InChIKeyVTZUDEVOBJHTGP-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.99
Rot. Bonds4

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

5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide (PubChem CID 11502118) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
PubChem CID11502118
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H25N5O3/c1-24-6-8-25(9-7-24)16-2-4-18(19(14-16)26-10-12-28-13-11-26)23-21(27)20-5-3-17(15-22)29-20/h2-5,14H,6-13H2,1H3,(H,23,27)
InChIKeyVTZUDEVOBJHTGP-UHFFFAOYSA-N
XLogP1.99
TPSA84.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-Cyano-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
CID 11654827
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide (CID 11502118) is 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCOCC3)c2)CC1.
What is the InChIKey of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The InChIKey is VTZUDEVOBJHTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-6-8-25(9-7-24)16-2-4-18(19(14-16)26-10-12-28-13-11-26)23-21(27)20-5-3-17(15-22)29-20/h2-5,14H,6-13H2,1H3,(H,23,27).
What are the key properties of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11502118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).