4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

C22H22N2O2 — CID 92500203

IUPAC4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H22N2O2/c1-3-26-20-12-10-18(11-13-20)22(25)24-21(19-5-4-14-23-15-19)17-8-6-16(2)7-9-17/h4-15,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyVKLHODRFOSENSM-OAQYLSRUSA-N
MW346.43 g/mol
LogP4.31
Rot. Bonds6

About 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (PubChem CID 92500203) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
PubChem CID92500203
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H22N2O2/c1-3-26-20-12-10-18(11-13-20)22(25)24-21(19-5-4-14-23-15-19)17-8-6-16(2)7-9-17/h4-15,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyVKLHODRFOSENSM-OAQYLSRUSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (CID 92500203) is 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is CCOc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The InChIKey is VKLHODRFOSENSM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-26-20-12-10-18(11-13-20)22(25)24-21(19-5-4-14-23-15-19)17-8-6-16(2)7-9-17/h4-15,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 92500203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).