(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide

C25H24N4O4 — CID 145465274

IUPAC(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
SMILESC/C=N/O.COc1c(-c2ccc(-c3ccc(C)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C23H19N3O3.C2H5NO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-22(29-2)20(23(27)26-28)18-13-24-12-11-19(18)25-21;1-2-3-4/h3-13,28H,1-2H3,(H,26,27);2,4H,1H3/b;3-2+
InChIKeyDWNWWNYDPPVMCK-ZPYUXNTASA-N
MW444.49 g/mol
LogP4.87
Rot. Bonds4

About (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide

(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide (PubChem CID 145465274) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
PubChem CID145465274
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
SMILESC/C=N/O.COc1c(-c2ccc(-c3ccc(C)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C23H19N3O3.C2H5NO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-22(29-2)20(23(27)26-28)18-13-24-12-11-19(18)25-21;1-2-3-4/h3-13,28H,1-2H3,(H,26,27);2,4H,1H3/b;3-2+
InChIKeyDWNWWNYDPPVMCK-ZPYUXNTASA-N
XLogP4.87
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
N-hydroxy-2-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059852
N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25062460
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
CID 145465486
[(2R)-2-hydroxycyclopropyl]-[3-methoxy-2-[4-(4-methylsulfanylphenyl)phenyl]-1,6-naphthyridin-4-yl]methanone
CID 145465439
6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
CID 143948799
butane;1-[2-[4-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-1-ynyl]phenyl]-3-methoxy-1,6-naphthyridin-4-yl]ethanone;ethane
CID 145465402
2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine
CID 5187890
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
CID 145464823

Frequently Asked Questions

What is the IUPAC name of (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide?
The IUPAC name of (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide (CID 145465274) is (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide is C/C=N/O.COc1c(-c2ccc(-c3ccc(C)cc3)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide?
The InChIKey is DWNWWNYDPPVMCK-ZPYUXNTASA-N. The full InChI is InChI=1S/C23H19N3O3.C2H5NO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-22(29-2)20(23(27)26-28)18-13-24-12-11-19(18)25-21;1-2-3-4/h3-13,28H,1-2H3,(H,26,27);2,4H,1H3/b;3-2+.
What are the key properties of (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide?
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 145465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).