N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

C19H16N4O2 — CID 122275231

IUPACN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCn1cc(-c2ncccc2CNC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C19H16N4O2/c1-23-12-15(11-22-23)18-14(6-4-8-20-18)10-21-19(24)17-9-13-5-2-3-7-16(13)25-17/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyYEIITZVDXPXOGJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 122275231) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID122275231
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCn1cc(-c2ncccc2CNC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C19H16N4O2/c1-23-12-15(11-22-23)18-14(6-4-8-20-18)10-21-19(24)17-9-13-5-2-3-7-16(13)25-17/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyYEIITZVDXPXOGJ-UHFFFAOYSA-N
XLogP3.16
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (CID 122275231) is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is Cn1cc(-c2ncccc2CNC(=O)c2cc3ccccc3o2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YEIITZVDXPXOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-12-15(11-22-23)18-14(6-4-8-20-18)10-21-19(24)17-9-13-5-2-3-7-16(13)25-17/h2-9,11-12H,10H2,1H3,(H,21,24).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122275231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).