3,4-diethoxy-N-pyridin-2-ylbenzamide

C16H18N2O3 — CID 4520194

IUPAC3,4-diethoxy-N-pyridin-2-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccn2)cc1OCC
InChIInChI=1S/C16H18N2O3/c1-3-20-13-9-8-12(11-14(13)21-4-2)16(19)18-15-7-5-6-10-17-15/h5-11H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyZFFOVCUMIKMUCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds6

About 3,4-diethoxy-N-pyridin-2-ylbenzamide

3,4-diethoxy-N-pyridin-2-ylbenzamide (PubChem CID 4520194) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,4-diethoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-pyridin-2-ylbenzamide
PubChem CID4520194
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3,4-diethoxy-N-pyridin-2-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccn2)cc1OCC
InChIInChI=1S/C16H18N2O3/c1-3-20-13-9-8-12(11-14(13)21-4-2)16(19)18-15-7-5-6-10-17-15/h5-11H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyZFFOVCUMIKMUCD-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
3-cyano-4-(2-ethoxyethoxy)-N-pyridin-2-ylbenzamide
CID 175189207
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
4-ethoxy-3-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 25344175

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 3,4-diethoxy-N-pyridin-2-ylbenzamide (CID 4520194) is 3,4-diethoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3,4-diethoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3,4-diethoxy-N-pyridin-2-ylbenzamide is CCOc1ccc(C(=O)Nc2ccccn2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-pyridin-2-ylbenzamide?
The InChIKey is ZFFOVCUMIKMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-13-9-8-12(11-14(13)21-4-2)16(19)18-15-7-5-6-10-17-15/h5-11H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 3,4-diethoxy-N-pyridin-2-ylbenzamide?
3,4-diethoxy-N-pyridin-2-ylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 4520194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).