N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide

C28H29N3O5 — CID 145465481

IUPACN-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2cc(CCOCCO)ncc12
InChIInChI=1S/C28H29N3O5/c32-12-1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)26-17-24(28(34)31-35)25-18-29-23(16-27(25)30-26)11-14-36-15-13-33/h3-10,16-18,32-33,35H,1-2,11-15H2,(H,31,34)
InChIKeyZXVCKCCCUOCDON-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.56
Rot. Bonds11

About N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide

N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide (PubChem CID 145465481) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide
PubChem CID145465481
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2cc(CCOCCO)ncc12
InChIInChI=1S/C28H29N3O5/c32-12-1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)26-17-24(28(34)31-35)25-18-29-23(16-27(25)30-26)11-14-36-15-13-33/h3-10,16-18,32-33,35H,1-2,11-15H2,(H,31,34)
InChIKeyZXVCKCCCUOCDON-UHFFFAOYSA-N
XLogP3.56
TPSA124.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
CID 145465271
3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide
CID 145464863
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
2-[4-(2-fluorophenyl)phenyl]-N-hydroxyquinoline-4-carboxamide
CID 145464945
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 144674882
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
CID 77105680
N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
CID 145465486
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]-2-methylpropanamide
CID 77105303

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide (CID 145465481) is N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide is O=C(NO)c1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2cc(CCOCCO)ncc12.
What is the InChIKey of N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The InChIKey is ZXVCKCCCUOCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c32-12-1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)26-17-24(28(34)31-35)25-18-29-23(16-27(25)30-26)11-14-36-15-13-33/h3-10,16-18,32-33,35H,1-2,11-15H2,(H,31,34).
What are the key properties of N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide?
N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.56, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 145465481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).