N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide

C22H22N2O2 — CID 92500266

IUPACN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H22N2O2/c1-15-6-7-16(2)20(13-15)21(18-5-4-12-23-14-18)24-22(25)17-8-10-19(26-3)11-9-17/h4-14,21H,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeyNXRUZPHLAGVYCG-NRFANRHFSA-N
MW346.43 g/mol
LogP4.23
Rot. Bonds5

About N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide (PubChem CID 92500266) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
PubChem CID92500266
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H22N2O2/c1-15-6-7-16(2)20(13-15)21(18-5-4-12-23-14-18)24-22(25)17-8-10-19(26-3)11-9-17/h4-14,21H,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeyNXRUZPHLAGVYCG-NRFANRHFSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 72840386
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide?
The IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide (CID 92500266) is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide?
The InChIKey is NXRUZPHLAGVYCG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-6-7-16(2)20(13-15)21(18-5-4-12-23-14-18)24-22(25)17-8-10-19(26-3)11-9-17/h4-14,21H,1-3H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide?
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide is sourced from PubChem (CID 92500266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).