N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide

C23H24N2O3 — CID 50831636

IUPACN-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1OCC
InChIInChI=1S/C23H24N2O3/c1-3-27-21-12-7-17(14-22(21)28-4-2)15-25-23(26)19-10-8-18(9-11-19)20-6-5-13-24-16-20/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyWAQVCUJASKTKHO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.48
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide

N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide (PubChem CID 50831636) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
PubChem CID50831636
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1OCC
InChIInChI=1S/C23H24N2O3/c1-3-27-21-12-7-17(14-22(21)28-4-2)15-25-23(26)19-10-8-18(9-11-19)20-6-5-13-24-16-20/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyWAQVCUJASKTKHO-UHFFFAOYSA-N
XLogP4.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30838230
4-butoxy-3-ethoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771002
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39124709
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide (CID 50831636) is N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide is CCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide?
The InChIKey is WAQVCUJASKTKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-27-21-12-7-17(14-22(21)28-4-2)15-25-23(26)19-10-8-18(9-11-19)20-6-5-13-24-16-20/h5-14,16H,3-4,15H2,1-2H3,(H,25,26).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide?
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 50831636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).