N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide

C21H23N3O2 — CID 111483666

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-14(2)21(3,26)13-23-20(25)17-11-19(15-7-6-10-22-12-15)24-18-9-5-4-8-16(17)18/h4-12,14,26H,13H2,1-3H3,(H,23,25)
InChIKeyOBQXKGBJFPRYQM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.43
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 111483666) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID111483666
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-14(2)21(3,26)13-23-20(25)17-11-19(15-7-6-10-22-12-15)24-18-9-5-4-8-16(17)18/h4-12,14,26H,13H2,1-3H3,(H,23,25)
InChIKeyOBQXKGBJFPRYQM-UHFFFAOYSA-N
XLogP3.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55332232
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 111483666) is N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide is CC(C)C(C)(O)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OBQXKGBJFPRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)21(3,26)13-23-20(25)17-11-19(15-7-6-10-22-12-15)24-18-9-5-4-8-16(17)18/h4-12,14,26H,13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 111483666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).