2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide

C21H20N2O3 — CID 44765343

IUPAC2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccn2)c(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-16-11-12-17(19(14-16)26-2)21(24)23-20(15-8-4-3-5-9-15)18-10-6-7-13-22-18/h3-14,20H,1-2H3,(H,23,24)
InChIKeyDRADRHVWUFPNPI-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.62
Rot. Bonds6

About 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide

2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 44765343) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID44765343
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccn2)c(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-16-11-12-17(19(14-16)26-2)21(24)23-20(15-8-4-3-5-9-15)18-10-6-7-13-22-18/h3-14,20H,1-2H3,(H,23,24)
InChIKeyDRADRHVWUFPNPI-UHFFFAOYSA-N
XLogP3.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[1-benzofuran-2-yl(phenyl)methyl]-2,4-dimethoxybenzamide
CID 43035801
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
3-(4-methoxyphenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51688774
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
CID 110242008
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 44765343) is 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide is COc1ccc(C(=O)NC(c2ccccc2)c2ccccn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is DRADRHVWUFPNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-16-11-12-17(19(14-16)26-2)21(24)23-20(15-8-4-3-5-9-15)18-10-6-7-13-22-18/h3-14,20H,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 44765343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).