N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide

C16H16N2O3 — CID 19595460

IUPACN-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide
SMILESCOc1cccc(/C=C(/NC=O)c2ccncc2)c1OC
InChIInChI=1S/C16H16N2O3/c1-20-15-5-3-4-13(16(15)21-2)10-14(18-11-19)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,19)/b14-10+
InChIKeyYAMKOHXPKDJNDE-GXDHUFHOSA-N
MW284.32 g/mol
LogP2.34
Rot. Bonds6

About N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide

N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide (PubChem CID 19595460) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide
PubChem CID19595460
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide
SMILESCOc1cccc(/C=C(/NC=O)c2ccncc2)c1OC
InChIInChI=1S/C16H16N2O3/c1-20-15-5-3-4-13(16(15)21-2)10-14(18-11-19)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,19)/b14-10+
InChIKeyYAMKOHXPKDJNDE-GXDHUFHOSA-N
XLogP2.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide?
The IUPAC name of N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide (CID 19595460) is N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide?
The canonical SMILES for N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide is COc1cccc(/C=C(/NC=O)c2ccncc2)c1OC.
What is the InChIKey of N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide?
The InChIKey is YAMKOHXPKDJNDE-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-15-5-3-4-13(16(15)21-2)10-14(18-11-19)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,19)/b14-10+.
What are the key properties of N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide?
N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide has a molecular weight of 284.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide is sourced from PubChem (CID 19595460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).