4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide

C19H22N2O — CID 11403664

IUPAC4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4/h5-13H,1-4H3,(H,20,21,22)/b12-11+
InChIKeyBWDKFULWPLSLCY-VAWYXSNFSA-N
MW294.40 g/mol
LogP4.70
Rot. Bonds3

About 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide

4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 11403664) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID11403664
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4/h5-13H,1-4H3,(H,20,21,22)/b12-11+
InChIKeyBWDKFULWPLSLCY-VAWYXSNFSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 3700792
4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
CID 72833977
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide (CID 11403664) is 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.
What is the InChIKey of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is BWDKFULWPLSLCY-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4/h5-13H,1-4H3,(H,20,21,22)/b12-11+.
What are the key properties of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide?
4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 11403664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).