7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide

C16H16N2O4 — CID 22734102

IUPAC7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c2c1OC(C)(C)O2
InChIInChI=1S/C16H16N2O4/c1-16(2)21-13-11(4-5-12(20-3)14(13)22-16)15(19)18-10-6-8-17-9-7-10/h4-9H,1-3H3,(H,17,18,19)
InChIKeyBTWVFGKUDYDYRB-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.85
Rot. Bonds3

About 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide

7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide (PubChem CID 22734102) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide
PubChem CID22734102
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c2c1OC(C)(C)O2
InChIInChI=1S/C16H16N2O4/c1-16(2)21-13-11(4-5-12(20-3)14(13)22-16)15(19)18-10-6-8-17-9-7-10/h4-9H,1-3H3,(H,17,18,19)
InChIKeyBTWVFGKUDYDYRB-UHFFFAOYSA-N
XLogP2.85
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-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

ethane;4-ethyl-2-methoxy-N-pyridin-4-ylbenzamide
CID 167447261
7-methoxy-2-propyl-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 70226321
2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide
CID 66868075
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide?
The IUPAC name of 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide (CID 22734102) is 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide is COc1ccc(C(=O)Nc2ccncc2)c2c1OC(C)(C)O2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide?
The InChIKey is BTWVFGKUDYDYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-16(2)21-13-11(4-5-12(20-3)14(13)22-16)15(19)18-10-6-8-17-9-7-10/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide?
7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 22734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).