(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H19IN2O — CID 19631485

IUPAC(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1I
InChIInChI=1S/C18H19IN2O/c1-12(2)15-7-4-14(5-8-15)6-11-18(22)21-17-10-9-16(19)13(3)20-17/h4-12H,1-3H3,(H,20,21,22)/b11-6+
InChIKeyUSWGUKXFPVGVDX-IZZDOVSWSA-N
MW406.27 g/mol
LogP4.77
Rot. Bonds4

About (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 19631485) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID19631485
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1I
InChIInChI=1S/C18H19IN2O/c1-12(2)15-7-4-14(5-8-15)6-11-18(22)21-17-10-9-16(19)13(3)20-17/h4-12H,1-3H3,(H,20,21,22)/b11-6+
InChIKeyUSWGUKXFPVGVDX-IZZDOVSWSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92955062
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 22781029
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide
CID 124608819
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5416418

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 19631485) is (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1I.
What is the InChIKey of (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is USWGUKXFPVGVDX-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H19IN2O/c1-12(2)15-7-4-14(5-8-15)6-11-18(22)21-17-10-9-16(19)13(3)20-17/h4-12H,1-3H3,(H,20,21,22)/b11-6+.
What are the key properties of (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 406.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 19631485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).