3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide

C26H29N3O4 — CID 5430547

IUPAC3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1
InChIInChI=1S/C26H29N3O4/c1-32-25-15-19(9-10-24(25)33-14-13-29-11-5-2-6-12-29)18-27-28-26(31)22-16-20-7-3-4-8-21(20)17-23(22)30/h3-4,7-10,15-18,30H,2,5-6,11-14H2,1H3,(H,28,31)/b27-18-
InChIKeyNPYRKPWGQDDCRN-IMRQLAEWSA-N
MW447.54 g/mol
LogP4.18
Rot. Bonds8

About 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 5430547) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID5430547
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1
InChIInChI=1S/C26H29N3O4/c1-32-25-15-19(9-10-24(25)33-14-13-29-11-5-2-6-12-29)18-27-28-26(31)22-16-20-7-3-4-8-21(20)17-23(22)30/h3-4,7-10,15-18,30H,2,5-6,11-14H2,1H3,(H,28,31)/b27-18-
InChIKeyNPYRKPWGQDDCRN-IMRQLAEWSA-N
XLogP4.18
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1009993
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4517422
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3128061
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
N-[(Z)-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5431219
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide (CID 5430547) is 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide is COc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1.
What is the InChIKey of 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is NPYRKPWGQDDCRN-IMRQLAEWSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-25-15-19(9-10-24(25)33-14-13-29-11-5-2-6-12-29)18-27-28-26(31)22-16-20-7-3-4-8-21(20)17-23(22)30/h3-4,7-10,15-18,30H,2,5-6,11-14H2,1H3,(H,28,31)/b27-18-.
What are the key properties of 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5430547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).