2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide

C17H17ClN2O2 — CID 3817967

IUPAC2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C17H17ClN2O2/c1-10-6-7-13(14-12(10)9-17(2,3)22-14)20-16(21)11-5-4-8-19-15(11)18/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyUZVATQBMVQLQPF-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide

2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide (PubChem CID 3817967) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide
PubChem CID3817967
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C17H17ClN2O2/c1-10-6-7-13(14-12(10)9-17(2,3)22-14)20-16(21)11-5-4-8-19-15(11)18/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyUZVATQBMVQLQPF-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
CID 14535901
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
CID 3793002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide (CID 3817967) is 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Cl)c2c1CC(C)(C)O2.
What is the InChIKey of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide?
The InChIKey is UZVATQBMVQLQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-10-6-7-13(14-12(10)9-17(2,3)22-14)20-16(21)11-5-4-8-19-15(11)18/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide?
2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3817967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).