2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide

C23H24N4O3 — CID 56933401

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1ccncc1)C(NCCc1ccncc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O3/c28-23(27-14-8-18-5-11-25-12-6-18)22(26-13-7-17-3-9-24-10-4-17)19-1-2-20-21(15-19)30-16-29-20/h1-6,9-12,15,22,26H,7-8,13-14,16H2,(H,27,28)
InChIKeyLBELQLYXWWRXBF-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.44
Rot. Bonds9

About 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (PubChem CID 56933401) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
PubChem CID56933401
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
SMILESO=C(NCCc1ccncc1)C(NCCc1ccncc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O3/c28-23(27-14-8-18-5-11-25-12-6-18)22(26-13-7-17-3-9-24-10-4-17)19-1-2-20-21(15-19)30-16-29-20/h1-6,9-12,15,22,26H,7-8,13-14,16H2,(H,27,28)
InChIKeyLBELQLYXWWRXBF-UHFFFAOYSA-N
XLogP2.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide with MolForge

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Related Compounds

tert-butyl 4-[2-[[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]amino]ethyl]piperidine-1-carboxylate
CID 123967561
3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 45226577
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 66634712
2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932437
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 113217368
1,3-benzodioxole-5-carbaldehyde;N-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide;4-(2-isocyanoethyl)pyridine;2-pyridin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 165062181
2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932484
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
3-[[1,3-benzodioxol-5-yl(carboxy)methyl]amino]propanoic acid
CID 84748420
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)-3-methylbutanamide
CID 46520896

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide (CID 56933401) is 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is O=C(NCCc1ccncc1)C(NCCc1ccncc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
The InChIKey is LBELQLYXWWRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(27-14-8-18-5-11-25-12-6-18)22(26-13-7-17-3-9-24-10-4-17)19-1-2-20-21(15-19)30-16-29-20/h1-6,9-12,15,22,26H,7-8,13-14,16H2,(H,27,28).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide is sourced from PubChem (CID 56933401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).