3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

C21H20N2O2 — CID 92500173

IUPAC3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c1
InChIInChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20(18-6-4-12-22-14-18)23-21(24)17-5-3-7-19(13-17)25-2/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyNQXQVWZZQAWGEB-FQEVSTJZSA-N
MW332.40 g/mol
LogP3.92
Rot. Bonds5

About 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (PubChem CID 92500173) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
PubChem CID92500173
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c1
InChIInChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20(18-6-4-12-22-14-18)23-21(24)17-5-3-7-19(13-17)25-2/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyNQXQVWZZQAWGEB-FQEVSTJZSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (CID 92500173) is 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c1.
What is the InChIKey of 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The InChIKey is NQXQVWZZQAWGEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20(18-6-4-12-22-14-18)23-21(24)17-5-3-7-19(13-17)25-2/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 92500173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).