2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide

C15H14ClN3O2 — CID 63933528

IUPAC2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2COc3ccccc32)cc(Cl)n1
InChIInChI=1S/C15H14ClN3O2/c1-17-14-7-9(6-13(16)19-14)15(20)18-11-8-21-12-5-3-2-4-10(11)12/h2-7,11H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyXRJKTFJBQLEOJF-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 63933528) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID63933528
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2COc3ccccc32)cc(Cl)n1
InChIInChI=1S/C15H14ClN3O2/c1-17-14-7-9(6-13(16)19-14)15(20)18-11-8-21-12-5-3-2-4-10(11)12/h2-7,11H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyXRJKTFJBQLEOJF-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951585
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide (CID 63933528) is 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC2COc3ccccc32)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is XRJKTFJBQLEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-17-14-7-9(6-13(16)19-14)15(20)18-11-8-21-12-5-3-2-4-10(11)12/h2-7,11H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 63933528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).