2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide

C15H16N4O3 — CID 39179801

IUPAC2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
SMILESNCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H16N4O3/c16-6-15(20)19-11-2-4-14(18-8-11)17-7-10-1-3-12-13(5-10)22-9-21-12/h1-5,8H,6-7,9,16H2,(H,17,18)(H,19,20)
InChIKeySOSNBGQWKRKMIW-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide

2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide (PubChem CID 39179801) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
PubChem CID39179801
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
SMILESNCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H16N4O3/c16-6-15(20)19-11-2-4-14(18-8-11)17-7-10-1-3-12-13(5-10)22-9-21-12/h1-5,8H,6-7,9,16H2,(H,17,18)(H,19,20)
InChIKeySOSNBGQWKRKMIW-UHFFFAOYSA-N
XLogP1.32
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
CID 82034218
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109157436
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
CID 109157444
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]methanone
CID 109157408
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
CID 113041820
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide (CID 39179801) is 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide is NCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide?
The InChIKey is SOSNBGQWKRKMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-6-15(20)19-11-2-4-14(18-8-11)17-7-10-1-3-12-13(5-10)22-9-21-12/h1-5,8H,6-7,9,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide?
2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 39179801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).