(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide

C15H13IN2O — CID 17374734

IUPAC(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide
SMILESCc1cc(I)cnc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H13IN2O/c1-11-9-13(16)10-17-15(11)18-14(19)8-7-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19)/b8-7+
InChIKeyWPTIZFLGBKGUQN-BQYQJAHWSA-N
MW364.19 g/mol
LogP3.65
Rot. Bonds3

About (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide

(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 17374734) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID17374734
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC Name(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide
SMILESCc1cc(I)cnc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H13IN2O/c1-11-9-13(16)10-17-15(11)18-14(19)8-7-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19)/b8-7+
InChIKeyWPTIZFLGBKGUQN-BQYQJAHWSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.65
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

(E)-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-phenylprop-2-enamide
CID 21216570
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
(E)-N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 17274609
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 3700792
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide (CID 17374734) is (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide is Cc1cc(I)cnc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is WPTIZFLGBKGUQN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13IN2O/c1-11-9-13(16)10-17-15(11)18-14(19)8-7-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19)/b8-7+.
What are the key properties of (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 364.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 17374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).