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

C30H29N3O — CID 67880663

IUPAC2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
SMILESCCCCc1cc(C)c(NCc2ccccc2)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C30H29N3O/c1-3-4-15-25-19-22(2)29(32-21-23-12-6-5-7-13-23)30(34)33(25)28-18-11-10-17-27(28)26-16-9-8-14-24(26)20-31/h5-14,16-19,32H,3-4,15,21H2,1-2H3
InChIKeyLOXLMZFJXKZDBI-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.64
Rot. Bonds8

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

2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile (PubChem CID 67880663) has the molecular formula C30H29N3O and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
PubChem CID67880663
Molecular FormulaC30H29N3O
Molecular Weight447.58 g/mol
Exact Mass447.23
IUPAC Name2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
SMILESCCCCc1cc(C)c(NCc2ccccc2)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C30H29N3O/c1-3-4-15-25-19-22(2)29(32-21-23-12-6-5-7-13-23)30(34)33(25)28-18-11-10-17-27(28)26-16-9-8-14-24(26)20-31/h5-14,16-19,32H,3-4,15,21H2,1-2H3
InChIKeyLOXLMZFJXKZDBI-UHFFFAOYSA-N
XLogP6.64
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.64
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-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 67880621
3-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-1,1-dimethylurea
CID 67880622
N-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-N-methylacetamide
CID 67880624
6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 67880660
2-[4-[(6-butyl-2-oxo-3-piperidin-1-yl-1-pyridinyl)methyl]phenyl]benzonitrile
CID 19012386
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-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
4-[[[2-(butylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile
CID 10731687
5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 19799551
4-(benzylamino)-2-methylbenzonitrile
CID 81272992

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile (CID 67880663) is 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile is CCCCc1cc(C)c(NCc2ccccc2)c(=O)n1-c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile?
The InChIKey is LOXLMZFJXKZDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O/c1-3-4-15-25-19-22(2)29(32-21-23-12-6-5-7-13-23)30(34)33(25)28-18-11-10-17-27(28)26-16-9-8-14-24(26)20-31/h5-14,16-19,32H,3-4,15,21H2,1-2H3.
What are the key properties of 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile?
2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile has a molecular weight of 447.58 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 67880663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).