3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide

C15H12ClN3O2 — CID 15721999

IUPAC3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1oc2ccccc2c1N)c1cccnc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-19(10-6-4-8-18-14(10)16)15(20)13-12(17)9-5-2-3-7-11(9)21-13/h2-8H,17H2,1H3
InChIKeyORPWEXVRVQUAOC-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.34
Rot. Bonds2

About 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide

3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 15721999) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID15721999
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1oc2ccccc2c1N)c1cccnc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-19(10-6-4-8-18-14(10)16)15(20)13-12(17)9-5-2-3-7-11(9)21-13/h2-8H,17H2,1H3
InChIKeyORPWEXVRVQUAOC-UHFFFAOYSA-N
XLogP3.34
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide (CID 15721999) is 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide is CN(C(=O)c1oc2ccccc2c1N)c1cccnc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ORPWEXVRVQUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-19(10-6-4-8-18-14(10)16)15(20)13-12(17)9-5-2-3-7-11(9)21-13/h2-8H,17H2,1H3.
What are the key properties of 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 15721999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).