3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide

C19H22N2O — CID 3700792

IUPAC3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,21,22)
InChIKeyGZFJDMQINNZEBG-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.34
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 3700792) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
PubChem CID3700792
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,21,22)
InChIKeyGZFJDMQINNZEBG-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 11403664
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
2-[3-(3,4-dimethylphenyl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 91422896
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide (CID 3700792) is 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide is Cc1cccnc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is GZFJDMQINNZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 3700792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).