N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide

C25H24N4O4 — CID 68863403

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(CN3CCCCC3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H24N4O4/c26-14-19-13-18(9-10-21(19)30)24(31)27-28-25(32)23-22(17-7-3-1-4-8-17)20(16-33-23)15-29-11-5-2-6-12-29/h1,3-4,7-10,13,16,30H,2,5-6,11-12,15H2,(H,27,31)(H,28,32)
InChIKeyAVCZFWZQNCOKOJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.58
Rot. Bonds5

About N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 68863403) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide
PubChem CID68863403
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(CN3CCCCC3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H24N4O4/c26-14-19-13-18(9-10-21(19)30)24(31)27-28-25(32)23-22(17-7-3-1-4-8-17)20(16-33-23)15-29-11-5-2-6-12-29/h1,3-4,7-10,13,16,30H,2,5-6,11-12,15H2,(H,27,31)(H,28,32)
InChIKeyAVCZFWZQNCOKOJ-UHFFFAOYSA-N
XLogP3.58
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide (CID 68863403) is N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occ(CN3CCCCC3)c2-c2ccccc2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is AVCZFWZQNCOKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c26-14-19-13-18(9-10-21(19)30)24(31)27-28-25(32)23-22(17-7-3-1-4-8-17)20(16-33-23)15-29-11-5-2-6-12-29/h1,3-4,7-10,13,16,30H,2,5-6,11-12,15H2,(H,27,31)(H,28,32).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 444.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 68863403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).