2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide

C24H26N4O3 — CID 142791981

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCc1cccnc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N4O3/c25-23(29)24(9-5-18-6-11-26-12-7-18,28-13-8-19-2-1-10-27-17-19)20-3-4-21-22(16-20)31-15-14-30-21/h1-4,6-7,10-12,16-17,28H,5,8-9,13-15H2,(H2,25,29)
InChIKeyYQZVKPSXIQVPGY-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.39
Rot. Bonds9

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide (PubChem CID 142791981) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
PubChem CID142791981
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCc1cccnc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N4O3/c25-23(29)24(9-5-18-6-11-26-12-7-18,28-13-8-19-2-1-10-27-17-19)20-3-4-21-22(16-20)31-15-14-30-21/h1-4,6-7,10-12,16-17,28H,5,8-9,13-15H2,(H2,25,29)
InChIKeyYQZVKPSXIQVPGY-UHFFFAOYSA-N
XLogP2.39
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide with MolForge

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Related Compounds

2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
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
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-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792328
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide
CID 142792517
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide (CID 142791981) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide is NC(=O)C(CCc1ccncc1)(NCCc1cccnc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The InChIKey is YQZVKPSXIQVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c25-23(29)24(9-5-18-6-11-26-12-7-18,28-13-8-19-2-1-10-27-17-19)20-3-4-21-22(16-20)31-15-14-30-21/h1-4,6-7,10-12,16-17,28H,5,8-9,13-15H2,(H2,25,29).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide has a molecular weight of 418.50 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide is sourced from PubChem (CID 142791981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).