(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C17H18N2O4 — CID 807639

IUPAC(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O4/c1-21-14-10-12(11-15(22-2)17(14)23-3)4-5-16(20)19-13-6-8-18-9-7-13/h4-11H,1-3H3,(H,18,19,20)/b5-4+
InChIKeyRTYQGUHNLADZJF-SNAWJCMRSA-N
MW314.34 g/mol
LogP2.76
Rot. Bonds6

About (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 807639) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID807639
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O4/c1-21-14-10-12(11-15(22-2)17(14)23-3)4-5-16(20)19-13-6-8-18-9-7-13/h4-11H,1-3H3,(H,18,19,20)/b5-4+
InChIKeyRTYQGUHNLADZJF-SNAWJCMRSA-N
XLogP2.76
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4549362
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
methyl 3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate
CID 3338274
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677

Frequently Asked Questions

What is the IUPAC name of (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 807639) is (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccncc2)cc(OC)c1OC.
What is the InChIKey of (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is RTYQGUHNLADZJF-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-14-10-12(11-15(22-2)17(14)23-3)4-5-16(20)19-13-6-8-18-9-7-13/h4-11H,1-3H3,(H,18,19,20)/b5-4+.
What are the key properties of (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 314.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 807639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).