N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

C42H48N4O4 — CID 158460534

IUPACN-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.CC(C)c1cccc(-c2ccc(C(=O)NO)nc2)c1
InChIInChI=1S/C27H32N2O2.C15H16N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21;1-10(2)11-4-3-5-12(8-11)13-6-7-14(16-9-13)15(18)17-19/h6-15,18-20H,16-17H2,1-5H3;3-10,19H,1-2H3,(H,17,18)
InChIKeyHFCONLADVYOOHJ-UHFFFAOYSA-N
MW672.87 g/mol
LogP9.28
Rot. Bonds10

About N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 158460534) has the molecular formula C42H48N4O4 and a molecular weight of 672.87 g/mol. Its IUPAC name is N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID158460534
Molecular FormulaC42H48N4O4
Molecular Weight672.87 g/mol
Exact Mass672.37
IUPAC NameN-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.CC(C)c1cccc(-c2ccc(C(=O)NO)nc2)c1
InChIInChI=1S/C27H32N2O2.C15H16N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21;1-10(2)11-4-3-5-12(8-11)13-6-7-14(16-9-13)15(18)17-19/h6-15,18-20H,16-17H2,1-5H3;3-10,19H,1-2H3,(H,17,18)
InChIKeyHFCONLADVYOOHJ-UHFFFAOYSA-N
XLogP9.28
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 59.28
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86681796
5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86681798
5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 123211569
O-tert-butylhydroxylamine;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;isoquinoline-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]isoquinoline-3-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 160740248
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
CID 59192525
ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate
CID 86681803
N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
[[[3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino] 3,3-dimethylbutanoate
CID 90924127
N-hydroxy-5-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]pyridine-2-carboxamide
CID 162770756
N-hydroxy-5-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]pyridine-2-carboxamide
CID 177268266
N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
CID 143500931
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (CID 158460534) is N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.CC(C)c1cccc(-c2ccc(C(=O)NO)nc2)c1.
What is the InChIKey of N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is HFCONLADVYOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2.C15H16N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21;1-10(2)11-4-3-5-12(8-11)13-6-7-14(16-9-13)15(18)17-19/h6-15,18-20H,16-17H2,1-5H3;3-10,19H,1-2H3,(H,17,18).
What are the key properties of N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 672.87 g/mol, XLogP of 9.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 158460534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).