N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide

C25H23N3O3 — CID 25063249

IUPACN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
SMILESCc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H23N3O3/c1-16-23(25(30)28-31)21-15-26-13-12-22(21)27-24(16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30)
InChIKeyDWNFCHCRHWUQHR-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.32
Rot. Bonds6

About N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide

N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide (PubChem CID 25063249) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
PubChem CID25063249
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
SMILESCc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H23N3O3/c1-16-23(25(30)28-31)21-15-26-13-12-22(21)27-24(16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30)
InChIKeyDWNFCHCRHWUQHR-UHFFFAOYSA-N
XLogP4.32
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[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
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
CID 145465486
1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
CID 145464823
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274
N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane
CID 145465344
4-[4-(3,4-dimethyl-1,6-naphthyridin-2-yl)phenyl]-N-ethylaniline
CID 145465310
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-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide (CID 25063249) is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide is Cc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide?
The InChIKey is DWNFCHCRHWUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-23(25(30)28-31)21-15-26-13-12-22(21)27-24(16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 25063249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).