3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide

C22H22N2O4 — CID 92500137

IUPAC3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-18-12-17(13-19(27-2)21(18)28-3)22(25)24-20(15-8-5-4-6-9-15)16-10-7-11-23-14-16/h4-14,20H,1-3H3,(H,24,25)/t20-/m0/s1
InChIKeyUUVBGHQFKNGQSV-FQEVSTJZSA-N
MW378.43 g/mol
LogP3.63
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide (PubChem CID 92500137) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
PubChem CID92500137
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-18-12-17(13-19(27-2)21(18)28-3)22(25)24-20(15-8-5-4-6-9-15)16-10-7-11-23-14-16/h4-14,20H,1-3H3,(H,24,25)/t20-/m0/s1
InChIKeyUUVBGHQFKNGQSV-FQEVSTJZSA-N
XLogP3.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
CID 985979
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide (CID 92500137) is 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide is COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide?
The InChIKey is UUVBGHQFKNGQSV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-18-12-17(13-19(27-2)21(18)28-3)22(25)24-20(15-8-5-4-6-9-15)16-10-7-11-23-14-16/h4-14,20H,1-3H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 92500137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).