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

C18H21N3O3 — CID 78805890

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)NC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-17(15-5-7-16(24-2)8-6-15)10-18(23)20-12-14-4-3-9-19-11-14/h3-9,11,17H,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMJMUTRUMNYNYBX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.97
Rot. Bonds7

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

3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 78805890) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID78805890
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)NC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-17(15-5-7-16(24-2)8-6-15)10-18(23)20-12-14-4-3-9-19-11-14/h3-9,11,17H,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMJMUTRUMNYNYBX-UHFFFAOYSA-N
XLogP1.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 51950942
3-acetamido-3-(4-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 78904885
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 29491645
3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 42925936
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 78805890) is 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(C(CC(=O)NCc2cccnc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MJMUTRUMNYNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-17(15-5-7-16(24-2)8-6-15)10-18(23)20-12-14-4-3-9-19-11-14/h3-9,11,17H,10,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 78805890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).