N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H20N2O — CID 5059127

IUPACN-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H20N2O/c1-13(2)16-10-7-15(8-11-16)9-12-18(21)20-17-6-4-5-14(3)19-17/h4-13H,1-3H3,(H,19,20,21)
InChIKeyNTIATSWURUPZOE-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.17
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 5059127) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID5059127
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H20N2O/c1-13(2)16-10-7-15(8-11-16)9-12-18(21)20-17-6-4-5-14(3)19-17/h4-13H,1-3H3,(H,19,20,21)
InChIKeyNTIATSWURUPZOE-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.17
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)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19631485
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92955062
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
(E)-N-(6-methyl-2-pyridinyl)-3-[4-[4-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-enyl]-2-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 142650934
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 60555034
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
N-hydroxy-3-[4-[(6-methyl-2-pyridinyl)amino]phenyl]prop-2-enamide
CID 91388739
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 5059127) is N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1cccc(NC(=O)C=Cc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NTIATSWURUPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)16-10-7-15(8-11-16)9-12-18(21)20-17-6-4-5-14(3)19-17/h4-13H,1-3H3,(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 5059127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).