N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C19H22N2O6 — CID 3586387

IUPACN-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2OC)c(OC)n1
InChIInChI=1S/C19H22N2O6/c1-23-14-9-6-12(17(25-3)18(14)26-4)7-10-15(22)20-13-8-11-16(24-2)21-19(13)27-5/h6-11H,1-5H3,(H,20,22)
InChIKeyQKZRJHSHUYUCIO-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.78
Rot. Bonds8

About N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 3586387) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID3586387
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2OC)c(OC)n1
InChIInChI=1S/C19H22N2O6/c1-23-14-9-6-12(17(25-3)18(14)26-4)7-10-15(22)20-13-8-11-16(24-2)21-19(13)27-5/h6-11H,1-5H3,(H,20,22)
InChIKeyQKZRJHSHUYUCIO-UHFFFAOYSA-N
XLogP2.78
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.78
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-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
(E)-N-(2,4-difluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126413661
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126415125
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6142313
(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 22301745

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 3586387) is N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2OC)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is QKZRJHSHUYUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-23-14-9-6-12(17(25-3)18(14)26-4)7-10-15(22)20-13-8-11-16(24-2)21-19(13)27-5/h6-11H,1-5H3,(H,20,22).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 374.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3586387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).