4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide

C20H18N2O2 — CID 20896997

IUPAC4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-19(15-6-3-2-4-7-15)17-8-5-13-21-14-17/h2-14,19H,1H3,(H,22,23)
InChIKeyCFPIVIFETCBTNB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.61
Rot. Bonds5

About 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide

4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide (PubChem CID 20896997) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
PubChem CID20896997
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-19(15-6-3-2-4-7-15)17-8-5-13-21-14-17/h2-14,19H,1H3,(H,22,23)
InChIKeyCFPIVIFETCBTNB-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600285
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide (CID 20896997) is 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide is COc1ccc(C(=O)NC(c2ccccc2)c2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide?
The InChIKey is CFPIVIFETCBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-19(15-6-3-2-4-7-15)17-8-5-13-21-14-17/h2-14,19H,1H3,(H,22,23).
What are the key properties of 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide?
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 20896997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).