3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

C25H22N4O3 — CID 72514484

IUPAC3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)NN=Cc2ccc(NC(=O)C3CCCC3)c3ccccc23)ccc1O
InChIInChI=1S/C25H22N4O3/c26-14-19-13-17(10-12-23(19)30)25(32)29-27-15-18-9-11-22(21-8-4-3-7-20(18)21)28-24(31)16-5-1-2-6-16/h3-4,7-13,15-16,30H,1-2,5-6H2,(H,28,31)(H,29,32)
InChIKeyDXJBKNOBKOYCAO-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.31
Rot. Bonds5

About 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 72514484) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID72514484
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)NN=Cc2ccc(NC(=O)C3CCCC3)c3ccccc23)ccc1O
InChIInChI=1S/C25H22N4O3/c26-14-19-13-17(10-12-23(19)30)25(32)29-27-15-18-9-11-22(21-8-4-3-7-20(18)21)28-24(31)16-5-1-2-6-16/h3-4,7-13,15-16,30H,1-2,5-6H2,(H,28,31)(H,29,32)
InChIKeyDXJBKNOBKOYCAO-UHFFFAOYSA-N
XLogP4.31
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-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
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
N-[(E)-[4-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]methyl]naphthalen-1-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 59092015
4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135542439
3-cyano-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 59091575
3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethyl]naphthalen-1-yl]methylideneamino]benzamide
CID 59092597
N-[[4-[[2-(1-benzothiophen-3-yl)acetyl]amino]-2-methoxyphenyl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 67483206
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
CID 5121259
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
CID 59091755

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (CID 72514484) is 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is N#Cc1cc(C(=O)NN=Cc2ccc(NC(=O)C3CCCC3)c3ccccc23)ccc1O.
What is the InChIKey of 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is DXJBKNOBKOYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c26-14-19-13-17(10-12-23(19)30)25(32)29-27-15-18-9-11-22(21-8-4-3-7-20(18)21)28-24(31)16-5-1-2-6-16/h3-4,7-13,15-16,30H,1-2,5-6H2,(H,28,31)(H,29,32).
What are the key properties of 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 426.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 72514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).