2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide

C17H17ClN2O3 — CID 118384034

IUPAC2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)nc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-4-7-14(19-15(10)18)20-16(21)17(2,3)11-5-6-12-13(8-11)23-9-22-12/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyLOPLEENHEWKGPD-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.69
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide

2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide (PubChem CID 118384034) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide
PubChem CID118384034
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)nc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-4-7-14(19-15(10)18)20-16(21)17(2,3)11-5-6-12-13(8-11)23-9-22-12/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyLOPLEENHEWKGPD-UHFFFAOYSA-N
XLogP3.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
CID 113197678
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 113197712
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197476
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 90497892
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide (CID 118384034) is 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)nc1Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide?
The InChIKey is LOPLEENHEWKGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-4-7-14(19-15(10)18)20-16(21)17(2,3)11-5-6-12-13(8-11)23-9-22-12/h4-8H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide?
2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide has a molecular weight of 332.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 118384034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).