(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide

C18H20N2O — CID 75462488

IUPAC(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
SMILESC/C(=C/C(=O)NCc1ccccn1)CCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-15(10-11-16-7-3-2-4-8-16)13-18(21)20-14-17-9-5-6-12-19-17/h2-9,12-13H,10-11,14H2,1H3,(H,20,21)/b15-13-
InChIKeyJQRDVQBYDBBWGX-SQFISAMPSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds6

About (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide

(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide (PubChem CID 75462488) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
PubChem CID75462488
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
SMILESC/C(=C/C(=O)NCc1ccccn1)CCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-15(10-11-16-7-3-2-4-8-16)13-18(21)20-14-17-9-5-6-12-19-17/h2-9,12-13H,10-11,14H2,1H3,(H,20,21)/b15-13-
InChIKeyJQRDVQBYDBBWGX-SQFISAMPSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
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

4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71870789
N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
CID 72687029
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide?
The IUPAC name of (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide (CID 75462488) is (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide.
What is the SMILES notation for (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide?
The canonical SMILES for (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide is C/C(=C/C(=O)NCc1ccccn1)CCc1ccccc1.
What is the InChIKey of (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide?
The InChIKey is JQRDVQBYDBBWGX-SQFISAMPSA-N. The full InChI is InChI=1S/C18H20N2O/c1-15(10-11-16-7-3-2-4-8-16)13-18(21)20-14-17-9-5-6-12-19-17/h2-9,12-13H,10-11,14H2,1H3,(H,20,21)/b15-13-.
What are the key properties of (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide?
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide is sourced from PubChem (CID 75462488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).