3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide

C13H11N3O3 — CID 104740959

IUPAC3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c14-9-2-1-5-15-12(9)13(17)16-8-3-4-10-11(6-8)19-7-18-10/h1-6H,7,14H2,(H,16,17)
InChIKeyREFRFDLKIUIKTN-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.64
Rot. Bonds2

About 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide

3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide (PubChem CID 104740959) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
PubChem CID104740959
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c14-9-2-1-5-15-12(9)13(17)16-8-3-4-10-11(6-8)19-7-18-10/h1-6H,7,14H2,(H,16,17)
InChIKeyREFRFDLKIUIKTN-UHFFFAOYSA-N
XLogP1.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 110650976
N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681883
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide (CID 104740959) is 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The InChIKey is REFRFDLKIUIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-9-2-1-5-15-12(9)13(17)16-8-3-4-10-11(6-8)19-7-18-10/h1-6H,7,14H2,(H,16,17).
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).