6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

C14H13N3O3 — CID 103542782

IUPAC6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESNc1cc2c(cc1C(=O)NCc1ccccn1)OCO2
InChIInChI=1S/C14H13N3O3/c15-11-6-13-12(19-8-20-13)5-10(11)14(18)17-7-9-3-1-2-4-16-9/h1-6H,7-8,15H2,(H,17,18)
InChIKeySFJNSGMZALAVQZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.32
Rot. Bonds3

About 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103542782) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID103542782
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESNc1cc2c(cc1C(=O)NCc1ccccn1)OCO2
InChIInChI=1S/C14H13N3O3/c15-11-6-13-12(19-8-20-13)5-10(11)14(18)17-7-9-3-1-2-4-16-9/h1-6H,7-8,15H2,(H,17,18)
InChIKeySFJNSGMZALAVQZ-UHFFFAOYSA-N
XLogP1.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
6-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103543335
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
6-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 106391440
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307141
2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851878
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258640
6-amino-N-(2-amino-2-oxoethyl)-1,3-benzodioxole-5-carboxamide
CID 103542763
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
6-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106368817
6-amino-N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542800
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 103542782) is 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is Nc1cc2c(cc1C(=O)NCc1ccccn1)OCO2.
What is the InChIKey of 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SFJNSGMZALAVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-11-6-13-12(19-8-20-13)5-10(11)14(18)17-7-9-3-1-2-4-16-9/h1-6H,7-8,15H2,(H,17,18).
What are the key properties of 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).