4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide

C17H20N4O3 — CID 82034218

IUPAC4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
SMILESNCCCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H20N4O3/c18-7-1-2-17(22)21-16-6-4-13(10-20-16)19-9-12-3-5-14-15(8-12)24-11-23-14/h3-6,8,10,19H,1-2,7,9,11,18H2,(H,20,21,22)
InChIKeyGMRWGPZFUOLVKC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds7

About 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide

4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide (PubChem CID 82034218) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
PubChem CID82034218
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
SMILESNCCCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H20N4O3/c18-7-1-2-17(22)21-16-6-4-13(10-20-16)19-9-12-3-5-14-15(8-12)24-11-23-14/h3-6,8,10,19H,1-2,7,9,11,18H2,(H,20,21,22)
InChIKeyGMRWGPZFUOLVKC-UHFFFAOYSA-N
XLogP2.10
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
CID 39179801
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109190697
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492
2-(7-aminoheptanoylamino)-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 119680351
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179867
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
5-(1,3-benzodioxol-5-ylmethylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109190646
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109190687
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide (CID 82034218) is 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide is NCCCC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide?
The InChIKey is GMRWGPZFUOLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-7-1-2-17(22)21-16-6-4-13(10-20-16)19-9-12-3-5-14-15(8-12)24-11-23-14/h3-6,8,10,19H,1-2,7,9,11,18H2,(H,20,21,22).
What are the key properties of 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide?
4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide has a molecular weight of 328.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 82034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).