2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile

C23H23N3O — CID 67880621

IUPAC2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
SMILESCCCCc1cc(C)c(N)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H23N3O/c1-3-4-10-18-14-16(2)22(25)23(27)26(18)21-13-8-7-12-20(21)19-11-6-5-9-17(19)15-24/h5-9,11-14H,3-4,10,25H2,1-2H3
InChIKeyAVMWOORMLLVQSF-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.61
Rot. Bonds5

About 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile

2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile (PubChem CID 67880621) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
PubChem CID67880621
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
SMILESCCCCc1cc(C)c(N)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H23N3O/c1-3-4-10-18-14-16(2)22(25)23(27)26(18)21-13-8-7-12-20(21)19-11-6-5-9-17(19)15-24/h5-9,11-14H,3-4,10,25H2,1-2H3
InChIKeyAVMWOORMLLVQSF-UHFFFAOYSA-N
XLogP4.61
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 67880667
2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
CID 67880663
N-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-N-methylacetamide
CID 67880624
3-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-1,1-dimethylurea
CID 67880622
6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 67880660
2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 67870902
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248
2-[4-[(6-butyl-2-oxo-3-piperidin-1-yl-1-pyridinyl)methyl]phenyl]benzonitrile
CID 19012386
2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 150641386
2-[4-[[1-(1,3-benzodioxol-5-yl)-4-butyl-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 57460592
2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile
CID 10013930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile (CID 67880621) is 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile is CCCCc1cc(C)c(N)c(=O)n1-c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile?
The InChIKey is AVMWOORMLLVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-4-10-18-14-16(2)22(25)23(27)26(18)21-13-8-7-12-20(21)19-11-6-5-9-17(19)15-24/h5-9,11-14H,3-4,10,25H2,1-2H3.
What are the key properties of 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile?
2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 67880621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).