(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

C23H17Cl2N3O2 — CID 6025623

IUPAC(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(NC(=O)/C=C/c2ccccc2Cl)n1
InChIInChI=1S/C23H17Cl2N3O2/c24-18-8-3-1-6-16(18)12-14-22(29)27-20-10-5-11-21(26-20)28-23(30)15-13-17-7-2-4-9-19(17)25/h1-15H,(H2,26,27,28,29,30)/b14-12+,15-13+
InChIKeyHGMCQYDHDUJJMU-QUMQEAAQSA-N
MW438.31 g/mol
LogP5.69
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (PubChem CID 6025623) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
PubChem CID6025623
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC Name(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(NC(=O)/C=C/c2ccccc2Cl)n1
InChIInChI=1S/C23H17Cl2N3O2/c24-18-8-3-1-6-16(18)12-14-22(29)27-20-10-5-11-21(26-20)28-23(30)15-13-17-7-2-4-9-19(17)25/h1-15H,(H2,26,27,28,29,30)/b14-12+,15-13+
InChIKeyHGMCQYDHDUJJMU-QUMQEAAQSA-N
XLogP5.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6165611
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 3289911
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-3-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2679319
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (CID 6025623) is (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1cccc(NC(=O)/C=C/c2ccccc2Cl)n1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The InChIKey is HGMCQYDHDUJJMU-QUMQEAAQSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c24-18-8-3-1-6-16(18)12-14-22(29)27-20-10-5-11-21(26-20)28-23(30)15-13-17-7-2-4-9-19(17)25/h1-15H,(H2,26,27,28,29,30)/b14-12+,15-13+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide has a molecular weight of 438.31 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 6025623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).