2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide

C24H28N4O2 — CID 142792328

IUPAC2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCCOc1cccc(C(CCc2cccnc2)(NCCc2cccnc2)C(N)=O)c1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-9-3-8-21(16-22)24(23(25)29,12-10-19-6-4-13-26-17-19)28-15-11-20-7-5-14-27-18-20/h3-9,13-14,16-18,28H,2,10-12,15H2,1H3,(H2,25,29)
InChIKeyTUSSVEVRTPFZQF-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.02
Rot. Bonds11

About 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide

2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (PubChem CID 142792328) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
PubChem CID142792328
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCCOc1cccc(C(CCc2cccnc2)(NCCc2cccnc2)C(N)=O)c1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-9-3-8-21(16-22)24(23(25)29,12-10-19-6-4-13-26-17-19)28-15-11-20-7-5-14-27-18-20/h3-9,13-14,16-18,28H,2,10-12,15H2,1H3,(H2,25,29)
InChIKeyTUSSVEVRTPFZQF-UHFFFAOYSA-N
XLogP3.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(3-hydroxyphenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792292
2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792570
2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792470
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The IUPAC name of 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (CID 142792328) is 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is CCOc1cccc(C(CCc2cccnc2)(NCCc2cccnc2)C(N)=O)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The InChIKey is TUSSVEVRTPFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-30-22-9-3-8-21(16-22)24(23(25)29,12-10-19-6-4-13-26-17-19)28-15-11-20-7-5-14-27-18-20/h3-9,13-14,16-18,28H,2,10-12,15H2,1H3,(H2,25,29).
What are the key properties of 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide has a molecular weight of 404.51 g/mol, XLogP of 3.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is sourced from PubChem (CID 142792328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).