3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

C15H13ClN2O — CID 4548014

IUPAC3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2cccc(Cl)c2)nc1
InChIInChI=1S/C15H13ClN2O/c1-11-5-7-14(17-10-11)18-15(19)8-6-12-3-2-4-13(16)9-12/h2-10H,1H3,(H,17,18,19)
InChIKeyPBCYZXPFWPASAK-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.70
Rot. Bonds3

About 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 4548014) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
PubChem CID4548014
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2cccc(Cl)c2)nc1
InChIInChI=1S/C15H13ClN2O/c1-11-5-7-14(17-10-11)18-15(19)8-6-12-3-2-4-13(16)9-12/h2-10H,1H3,(H,17,18,19)
InChIKeyPBCYZXPFWPASAK-UHFFFAOYSA-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 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (CID 4548014) is 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2cccc(Cl)c2)nc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is PBCYZXPFWPASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-5-7-14(17-10-11)18-15(19)8-6-12-3-2-4-13(16)9-12/h2-10H,1H3,(H,17,18,19).
What are the key properties of 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(5-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 3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 4548014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).