3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide

C20H19N5O2 — CID 164627970

IUPAC3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)oc2ccccc12
InChIInChI=1S/C20H19N5O2/c1-12(2)25-11-21-24-19(25)15-8-6-10-17(22-15)23-20(26)18-13(3)14-7-4-5-9-16(14)27-18/h4-12H,1-3H3,(H,22,23,26)
InChIKeyLVTJMPRUBFKDLU-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.23
Rot. Bonds4

About 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide

3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 164627970) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID164627970
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)oc2ccccc12
InChIInChI=1S/C20H19N5O2/c1-12(2)25-11-21-24-19(25)15-8-6-10-17(22-15)23-20(26)18-13(3)14-7-4-5-9-16(14)27-18/h4-12H,1-3H3,(H,22,23,26)
InChIKeyLVTJMPRUBFKDLU-UHFFFAOYSA-N
XLogP4.23
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide (CID 164627970) is 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The InChIKey is LVTJMPRUBFKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(2)25-11-21-24-19(25)15-8-6-10-17(22-15)23-20(26)18-13(3)14-7-4-5-9-16(14)27-18/h4-12H,1-3H3,(H,22,23,26).
What are the key properties of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 164627970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).