3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide

C29H35N3O3 — CID 145464863

IUPAC3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide
SMILESCC.CC(=O)NO.Cc1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccnc(C)c12
InChIInChI=1S/C25H24N2O.C2H5NO2.C2H6/c1-17-16-24(27-23-13-14-26-18(2)25(17)23)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-28;1-2(4)3-5;1-2/h5-14,16,28H,3-4,15H2,1-2H3;5H,1H3,(H,3,4);1-2H3
InChIKeyOLZPLZSFDXTBGB-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.04
Rot. Bonds5

About 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide

3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide (PubChem CID 145464863) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide.

Molecular Properties

Compound Name3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide
PubChem CID145464863
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide
SMILESCC.CC(=O)NO.Cc1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccnc(C)c12
InChIInChI=1S/C25H24N2O.C2H5NO2.C2H6/c1-17-16-24(27-23-13-14-26-18(2)25(17)23)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-28;1-2(4)3-5;1-2/h5-14,16,28H,3-4,15H2,1-2H3;5H,1H3,(H,3,4);1-2H3
InChIKeyOLZPLZSFDXTBGB-UHFFFAOYSA-N
XLogP6.04
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.04
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-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465481
1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
CID 145465271
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
CID 143948799
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
CID 3111566
4-methylpyridine;3-pyridin-4-ylpropan-1-ol
CID 67786916
[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane
CID 145465184
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide
CID 145465474
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide?
The IUPAC name of 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide (CID 145464863) is 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide.
What is the SMILES notation for 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide?
The canonical SMILES for 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide is CC.CC(=O)NO.Cc1cc(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccnc(C)c12.
What is the InChIKey of 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide?
The InChIKey is OLZPLZSFDXTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O.C2H5NO2.C2H6/c1-17-16-24(27-23-13-14-26-18(2)25(17)23)22-11-9-21(10-12-22)20-7-5-19(6-8-20)4-3-15-28;1-2(4)3-5;1-2/h5-14,16,28H,3-4,15H2,1-2H3;5H,1H3,(H,3,4);1-2H3.
What are the key properties of 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide?
3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide has a molecular weight of 473.62 g/mol, XLogP of 6.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4,5-dimethyl-1,6-naphthyridin-2-yl)phenyl]phenyl]propan-1-ol;ethane;N-hydroxyacetamide is sourced from PubChem (CID 145464863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).