[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C15H12Cl2N2O4 — CID 6293013

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccco2)c1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9-11(16)7-18-15(14(9)17)19-12(20)8-23-13(21)5-4-10-3-2-6-22-10/h2-7H,8H2,1H3,(H,18,19,20)/b5-4+
InChIKeySOOICECXIOMGQO-SNAWJCMRSA-N
MW355.18 g/mol
LogP3.48
Rot. Bonds5

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6293013) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6293013
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccco2)c1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9-11(16)7-18-15(14(9)17)19-12(20)8-23-13(21)5-4-10-3-2-6-22-10/h2-7H,8H2,1H3,(H,18,19,20)/b5-4+
InChIKeySOOICECXIOMGQO-SNAWJCMRSA-N
XLogP3.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate with MolForge

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Related Compounds

[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 5058874
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 3433652
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
N-(3-methylpyridin-2-yl)furan-2-carboxamide
CID 3602278
5-chloro-N-(4-methylpyridin-2-yl)furan-2-carboxamide
CID 30138657
N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 835267
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2078980
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2375592

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 6293013) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccco2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is SOOICECXIOMGQO-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9-11(16)7-18-15(14(9)17)19-12(20)8-23-13(21)5-4-10-3-2-6-22-10/h2-7H,8H2,1H3,(H,18,19,20)/b5-4+.
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 355.18 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6293013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).