3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide

C16H18N2O2 — CID 18163096

IUPAC3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(C)c2cccnc2)ccc1C
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)20-3)16(19)18-12(2)14-5-4-8-17-10-14/h4-10,12H,1-3H3,(H,18,19)
InChIKeyRIVNUDCVERNAFW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds4

About 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide

3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18163096) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18163096
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(C)c2cccnc2)ccc1C
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)20-3)16(19)18-12(2)14-5-4-8-17-10-14/h4-10,12H,1-3H3,(H,18,19)
InChIKeyRIVNUDCVERNAFW-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
4-hydrazinyl-3-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 63212800
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide (CID 18163096) is 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide is COc1cc(C(=O)NC(C)c2cccnc2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is RIVNUDCVERNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)20-3)16(19)18-12(2)14-5-4-8-17-10-14/h4-10,12H,1-3H3,(H,18,19).
What are the key properties of 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18163096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).