N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide

C16H17N3O3 — CID 113036130

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C16H17N3O3/c1-2-3-16(20)19-15-7-5-12(9-17-15)18-11-4-6-13-14(8-11)22-10-21-13/h4-9,18H,2-3,10H2,1H3,(H,17,19,20)
InChIKeyLZLQEFULIKAQHC-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.29
Rot. Bonds5

About N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide (PubChem CID 113036130) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
PubChem CID113036130
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C16H17N3O3/c1-2-3-16(20)19-15-7-5-12(9-17-15)18-11-4-6-13-14(8-11)22-10-21-13/h4-9,18H,2-3,10H2,1H3,(H,17,19,20)
InChIKeyLZLQEFULIKAQHC-UHFFFAOYSA-N
XLogP3.29
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(1,3-benzodioxol-5-ylamino)-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

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113036236
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
N-[5-(3-bromoanilino)-2-pyridinyl]butanamide
CID 113036004
N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113021601
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
CID 113036240
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
CID 82034218

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide (CID 113036130) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide?
The InChIKey is LZLQEFULIKAQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-3-16(20)19-15-7-5-12(9-17-15)18-11-4-6-13-14(8-11)22-10-21-13/h4-9,18H,2-3,10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide has a molecular weight of 299.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113036130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).