N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide

C25H21N3O4 — CID 25062460

IUPACN-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc4c(c3)CC(O)C4)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H21N3O4/c1-32-24-22(25(30)28-31)20-13-26-9-8-21(20)27-23(24)15-4-2-14(3-5-15)16-6-7-17-11-19(29)12-18(17)10-16/h2-10,13,19,29,31H,11-12H2,1H3,(H,28,30)
InChIKeyNQHTUZCHEXJNGN-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.55
Rot. Bonds4

About N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide

N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (PubChem CID 25062460) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
PubChem CID25062460
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc4c(c3)CC(O)C4)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H21N3O4/c1-32-24-22(25(30)28-31)20-13-26-9-8-21(20)27-23(24)15-4-2-14(3-5-15)16-6-7-17-11-19(29)12-18(17)10-16/h2-10,13,19,29,31H,11-12H2,1H3,(H,28,30)
InChIKeyNQHTUZCHEXJNGN-UHFFFAOYSA-N
XLogP3.55
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059852
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
[(2R)-2-hydroxycyclopropyl]-[3-methoxy-2-[4-(4-methylsulfanylphenyl)phenyl]-1,6-naphthyridin-4-yl]methanone
CID 145465439
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
CID 143948799
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
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
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
N-hydroxy-3-methoxy-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-6-oxido-1,6-naphthyridin-6-ium-4-carboxamide
CID 151656314
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 N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (CID 25062460) is N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is COc1c(-c2ccc(-c3ccc4c(c3)CC(O)C4)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The InChIKey is NQHTUZCHEXJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-32-24-22(25(30)28-31)20-13-26-9-8-21(20)27-23(24)15-4-2-14(3-5-15)16-6-7-17-11-19(29)12-18(17)10-16/h2-10,13,19,29,31H,11-12H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 25062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).