3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide

C22H14N4O4 — CID 59092003

IUPAC3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3C(=O)c2ccoc2)ccc1O
InChIInChI=1S/C22H14N4O4/c23-11-17-10-14(4-5-20(17)27)21(28)25-24-12-15-2-1-3-19-18(15)6-8-26(19)22(29)16-7-9-30-13-16/h1-10,12-13,27H,(H,25,28)/b24-12+
InChIKeyFMSYFIUHENXSJN-WYMPLXKRSA-N
MW398.38 g/mol
LogP3.26
Rot. Bonds4

About 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide

3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 59092003) has the molecular formula C22H14N4O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID59092003
Molecular FormulaC22H14N4O4
Molecular Weight398.38 g/mol
Exact Mass398.10
IUPAC Name3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3C(=O)c2ccoc2)ccc1O
InChIInChI=1S/C22H14N4O4/c23-11-17-10-14(4-5-20(17)27)21(28)25-24-12-15-2-1-3-19-18(15)6-8-26(19)22(29)16-7-9-30-13-16/h1-10,12-13,27H,(H,25,28)/b24-12+
InChIKeyFMSYFIUHENXSJN-WYMPLXKRSA-N
XLogP3.26
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59091883
3-cyano-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 59091575
3-cyano-4-hydroxy-N-[(E)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-4-yl]methylideneamino]benzamide
CID 11826682
3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59092198
N-[(E)-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indol-4-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 59092164
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 154682763
ethyl 1-[4-[[4-[(E)-[(3-cyano-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 59091817
3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 72514126
3-cyano-N-[[4-[(3,5-difluorobenzoyl)amino]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514128
3-cyano-4-hydroxy-N-[(E)-[4-(1-hydroxy-3-methylbutyl)naphthalen-1-yl]methylideneamino]benzamide
CID 59091935
3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514484
3-chloro-4-hydroxy-N-[[1-(1-phenylethyl)indol-4-yl]methylideneamino]benzamide
CID 72514536

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 59092003) is 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide is N#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3C(=O)c2ccoc2)ccc1O.
What is the InChIKey of 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is FMSYFIUHENXSJN-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H14N4O4/c23-11-17-10-14(4-5-20(17)27)21(28)25-24-12-15-2-1-3-19-18(15)6-8-26(19)22(29)16-7-9-30-13-16/h1-10,12-13,27H,(H,25,28)/b24-12+.
What are the key properties of 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 398.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 59092003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).