3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

C25H25N3O2 — CID 46132027

IUPAC3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O2/c1-28-17-23(21-7-3-4-8-24(21)28)22(19-9-11-20(30-2)12-10-19)14-25(29)27-16-18-6-5-13-26-15-18/h3-13,15,17,22H,14,16H2,1-2H3,(H,27,29)
InChIKeyIYWJCGVQRVEGMZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds7

About 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 46132027) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID46132027
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O2/c1-28-17-23(21-7-3-4-8-24(21)28)22(19-9-11-20(30-2)12-10-19)14-25(29)27-16-18-6-5-13-26-15-18/h3-13,15,17,22H,14,16H2,1-2H3,(H,27,29)
InChIKeyIYWJCGVQRVEGMZ-UHFFFAOYSA-N
XLogP4.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 93110467
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42774633
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
CID 42774657
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 46132027) is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(C(CC(=O)NCc2cccnc2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IYWJCGVQRVEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-28-17-23(21-7-3-4-8-24(21)28)22(19-9-11-20(30-2)12-10-19)14-25(29)27-16-18-6-5-13-26-15-18/h3-13,15,17,22H,14,16H2,1-2H3,(H,27,29).
What are the key properties of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 46132027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).