(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C15H13ClN2O — CID 898543

IUPAC(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN2O/c1-11-3-2-4-14(17-11)18-15(19)10-7-12-5-8-13(16)9-6-12/h2-10H,1H3,(H,17,18,19)/b10-7+
InChIKeyPSKYWJQCESOWPF-JXMROGBWSA-N
MW272.74 g/mol
LogP3.70
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 898543) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID898543
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN2O/c1-11-3-2-4-14(17-11)18-15(19)10-7-12-5-8-13(16)9-6-12/h2-10H,1H3,(H,17,18,19)/b10-7+
InChIKeyPSKYWJQCESOWPF-JXMROGBWSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 898543) is (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)n1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is PSKYWJQCESOWPF-JXMROGBWSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-3-2-4-14(17-11)18-15(19)10-7-12-5-8-13(16)9-6-12/h2-10H,1H3,(H,17,18,19)/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 898543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).