N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide

C20H25N3O3 — CID 83274810

IUPACN-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccnc(N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C20H25N3O3/c1-25-16-6-7-17(18(14-16)26-2)22-20(24)8-5-15-9-10-21-19(13-15)23-11-3-4-12-23/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,24)
InChIKeyFVGUHCMEUTVHFX-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.27
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide

N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide (PubChem CID 83274810) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
PubChem CID83274810
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccnc(N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C20H25N3O3/c1-25-16-6-7-17(18(14-16)26-2)22-20(24)8-5-15-9-10-21-19(13-15)23-11-3-4-12-23/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,24)
InChIKeyFVGUHCMEUTVHFX-UHFFFAOYSA-N
XLogP3.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide (CID 83274810) is N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide is COc1ccc(NC(=O)CCc2ccnc(N3CCCC3)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The InChIKey is FVGUHCMEUTVHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-16-6-7-17(18(14-16)26-2)22-20(24)8-5-15-9-10-21-19(13-15)23-11-3-4-12-23/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide is sourced from PubChem (CID 83274810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).