N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide

C25H24N2O6 — CID 134146052

IUPACN-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)ccn1
InChIInChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(13-14-27-20)33-18-9-5-16(6-10-18)21(28)11-7-17-8-12-22(30-2)24(32-4)23(17)31-3/h5-15H,1-4H3,(H,26,29)/b11-7+
InChIKeyTWFUYDYDPJYQDI-YRNVUSSQSA-N
MW448.48 g/mol
LogP4.16
Rot. Bonds9

About N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide (PubChem CID 134146052) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
PubChem CID134146052
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC NameN-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)ccn1
InChIInChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(13-14-27-20)33-18-9-5-16(6-10-18)21(28)11-7-17-8-12-22(30-2)24(32-4)23(17)31-3/h5-15H,1-4H3,(H,26,29)/b11-7+
InChIKeyTWFUYDYDPJYQDI-YRNVUSSQSA-N
XLogP4.16
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide (CID 134146052) is N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is TWFUYDYDPJYQDI-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(13-14-27-20)33-18-9-5-16(6-10-18)21(28)11-7-17-8-12-22(30-2)24(32-4)23(17)31-3/h5-15H,1-4H3,(H,26,29)/b11-7+.
What are the key properties of N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 134146052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).