2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide

C15H15N3O3 — CID 62151458

IUPAC2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H15N3O3/c16-14-11(3-1-6-17-14)15(19)18-10-4-5-12-13(9-10)21-8-2-7-20-12/h1,3-6,9H,2,7-8H2,(H2,16,17)(H,18,19)
InChIKeyROTQGUQNNMVOPT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.08
Rot. Bonds2

About 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide

2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide (PubChem CID 62151458) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
PubChem CID62151458
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H15N3O3/c16-14-11(3-1-6-17-14)15(19)18-10-4-5-12-13(9-10)21-8-2-7-20-12/h1,3-6,9H,2,7-8H2,(H2,16,17)(H,18,19)
InChIKeyROTQGUQNNMVOPT-UHFFFAOYSA-N
XLogP2.08
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide 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

3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-aminopyridine-3-carboxylate
CID 8893764
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
6-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151460
2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide (CID 62151458) is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide is Nc1ncccc1C(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide?
The InChIKey is ROTQGUQNNMVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14-11(3-1-6-17-14)15(19)18-10-4-5-12-13(9-10)21-8-2-7-20-12/h1,3-6,9H,2,7-8H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide?
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62151458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).