N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H21N3O3 — CID 126003005

IUPACN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)o1
InChIInChI=1S/C20H21N3O3/c1-3-23(4-2)19-10-9-16(26-19)13-21-22-20(25)17-11-14-7-5-6-8-15(14)12-18(17)24/h5-13,24H,3-4H2,1-2H3,(H,22,25)/b21-13-
InChIKeyDIQDRRAOTGUSTN-BKUYFWCQSA-N
MW351.41 g/mol
LogP3.75
Rot. Bonds6

About N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 126003005) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID126003005
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)o1
InChIInChI=1S/C20H21N3O3/c1-3-23(4-2)19-10-9-16(26-19)13-21-22-20(25)17-11-14-7-5-6-8-15(14)12-18(17)24/h5-13,24H,3-4H2,1-2H3,(H,22,25)/b21-13-
InChIKeyDIQDRRAOTGUSTN-BKUYFWCQSA-N
XLogP3.75
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_furan_A(15)', '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

N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194465
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 126003005) is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)o1.
What is the InChIKey of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is DIQDRRAOTGUSTN-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-23(4-2)19-10-9-16(26-19)13-21-22-20(25)17-11-14-7-5-6-8-15(14)12-18(17)24/h5-13,24H,3-4H2,1-2H3,(H,22,25)/b21-13-.
What are the key properties of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 126003005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).