(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide

C25H24Cl2N4O5 — CID 168818961

IUPAC(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(Nc2ncccc2/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C25H24Cl2N4O5/c1-14(32)29-19-12-17(26)18(27)13-20(19)31-23(33)8-7-15-6-5-9-28-25(15)30-16-10-21(34-2)24(36-4)22(11-16)35-3/h5-13H,1-4H3,(H,28,30)(H,29,32)(H,31,33)/b8-7+
InChIKeyCPZQNDXEUSYGEH-BQYQJAHWSA-N
MW531.40 g/mol
LogP5.77
Rot. Bonds9

About (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide

(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide (PubChem CID 168818961) has the molecular formula C25H24Cl2N4O5 and a molecular weight of 531.40 g/mol. Its IUPAC name is (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide
PubChem CID168818961
Molecular FormulaC25H24Cl2N4O5
Molecular Weight531.40 g/mol
Exact Mass530.11
IUPAC Name(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(Nc2ncccc2/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C25H24Cl2N4O5/c1-14(32)29-19-12-17(26)18(27)13-20(19)31-23(33)8-7-15-6-5-9-28-25(15)30-16-10-21(34-2)24(36-4)22(11-16)35-3/h5-13H,1-4H3,(H,28,30)(H,29,32)(H,31,33)/b8-7+
InChIKeyCPZQNDXEUSYGEH-BQYQJAHWSA-N
XLogP5.77
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.40
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

1-(2-anilino-3-pyridinyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 154059881
(E)-N-(2-amino-4,5-dichlorophenyl)-4-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]but-2-enamide
CID 168819007
3-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 154059906
(E)-3-[2-[3,4-bis(hydroxymethyl)-5-methoxyanilino]-3-pyridinyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 118000103
(E)-1-(4-aminophenyl)-3-[2-(2,4-dichloroanilino)-3-pyridinyl]prop-2-en-1-one;(E)-3-[2-(4-chloroanilino)-3-pyridinyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one;(E)-3-[2-(4-chloroanilino)-3-pyridinyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;(E)-1-(4-chlorophenyl)-3-[2-(2,4-dichloroanilino)-3-pyridinyl]prop-2-en-1-one;(E)-3-[2-(2,4-dichloroanilino)-3-pyridinyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 161400508
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide (CID 168818961) is (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide is COc1cc(Nc2ncccc2/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide?
The InChIKey is CPZQNDXEUSYGEH-BQYQJAHWSA-N. The full InChI is InChI=1S/C25H24Cl2N4O5/c1-14(32)29-19-12-17(26)18(27)13-20(19)31-23(33)8-7-15-6-5-9-28-25(15)30-16-10-21(34-2)24(36-4)22(11-16)35-3/h5-13H,1-4H3,(H,28,30)(H,29,32)(H,31,33)/b8-7+.
What are the key properties of (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide?
(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide has a molecular weight of 531.40 g/mol, XLogP of 5.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 168818961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).