N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide

C16H16N2O — CID 130185155

IUPACN,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C16H16N2O/c1-18(2)16(19)15-7-5-13(6-8-15)3-4-14-9-11-17-12-10-14/h3-12H,1-2H3/b4-3+
InChIKeyXLLACFUPMVMLND-ONEGZZNKSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide

N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide (PubChem CID 130185155) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
PubChem CID130185155
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C16H16N2O/c1-18(2)16(19)15-7-5-13(6-8-15)3-4-14-9-11-17-12-10-14/h3-12H,1-2H3/b4-3+
InChIKeyXLLACFUPMVMLND-ONEGZZNKSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide (CID 130185155) is N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide is CN(C)C(=O)c1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide?
The InChIKey is XLLACFUPMVMLND-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(2)16(19)15-7-5-13(6-8-15)3-4-14-9-11-17-12-10-14/h3-12H,1-2H3/b4-3+.
What are the key properties of N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide?
N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide is sourced from PubChem (CID 130185155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).