N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide

C25H24N2O6 — CID 134155621

IUPACN-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)ccn1
InChIInChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(11-12-27-20)33-18-8-6-17(7-9-18)21(28)10-5-16-13-22(30-2)24(32-4)23(14-16)31-3/h5-15H,1-4H3,(H,26,29)/b10-5+
InChIKeyMCZQGTUALZBNEC-BJMVGYQFSA-N
MW448.48 g/mol
LogP4.16
Rot. Bonds9

About N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide (PubChem CID 134155621) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
PubChem CID134155621
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC NameN-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)ccn1
InChIInChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(11-12-27-20)33-18-8-6-17(7-9-18)21(28)10-5-16-13-22(30-2)24(32-4)23(14-16)31-3/h5-15H,1-4H3,(H,26,29)/b10-5+
InChIKeyMCZQGTUALZBNEC-BJMVGYQFSA-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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Related Compounds

N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 6498566
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 10254533
2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 837993
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 2108129
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 4787954
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 9119439
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3767848
2-[[Acetyl[3-methoxy-4-(tetradecyloxy)benzoyl]amino]methyl]-1-methylpyridinium iodide
CID 10100640
[3-[3-Methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]azetidin-1-yl]-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methanone
CID 49806001

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide (CID 134155621) is N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is MCZQGTUALZBNEC-BJMVGYQFSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-26-25(29)20-15-19(11-12-27-20)33-18-8-6-17(7-9-18)21(28)10-5-16-13-22(30-2)24(32-4)23(14-16)31-3/h5-15H,1-4H3,(H,26,29)/b10-5+.
What are the key properties of N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[(E)-3-(3,4,5-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-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 134155621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).