3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C22H22N2O2 — CID 45194858

IUPAC3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-20-11-9-19(10-12-20)21(18-7-3-2-4-8-18)14-22(25)24-16-17-6-5-13-23-15-17/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyVYSDBVUDKVRFHJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds7

About 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45194858) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45194858
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-20-11-9-19(10-12-20)21(18-7-3-2-4-8-18)14-22(25)24-16-17-6-5-13-23-15-17/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyVYSDBVUDKVRFHJ-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25375332
3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42804547
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 45194858) is 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(C(CC(=O)NCc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is VYSDBVUDKVRFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-20-11-9-19(10-12-20)21(18-7-3-2-4-8-18)14-22(25)24-16-17-6-5-13-23-15-17/h2-13,15,21H,14,16H2,1H3,(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 45194858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).