1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one

C15H13ClN2O2 — CID 178064932

IUPAC1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
SMILESC=CC(=O)c1cccnc1Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H13ClN2O2/c1-3-13(19)11-5-4-8-17-15(11)18-12-9-10(16)6-7-14(12)20-2/h3-9H,1H2,2H3,(H,17,18)
InChIKeyLNRUWGSIJCXRMM-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one

1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one (PubChem CID 178064932) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
PubChem CID178064932
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
SMILESC=CC(=O)c1cccnc1Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H13ClN2O2/c1-3-13(19)11-5-4-8-17-15(11)18-12-9-10(16)6-7-14(12)20-2/h3-9H,1H2,2H3,(H,17,18)
InChIKeyLNRUWGSIJCXRMM-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
1-[2-(2,4-dichloroanilino)-3-pyridinyl]-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 123651664
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 118148754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one?
The IUPAC name of 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one (CID 178064932) is 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one is C=CC(=O)c1cccnc1Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one?
The InChIKey is LNRUWGSIJCXRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-3-13(19)11-5-4-8-17-15(11)18-12-9-10(16)6-7-14(12)20-2/h3-9H,1H2,2H3,(H,17,18).
What are the key properties of 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one?
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one has a molecular weight of 288.73 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one is sourced from PubChem (CID 178064932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).