N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide

C17H14N4O4 — CID 18587364

IUPACN'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C17H14N4O4/c18-15(22)14-13(11-6-1-2-7-12(11)25-14)21-17(24)16(23)20-9-10-5-3-4-8-19-10/h1-8H,9H2,(H2,18,22)(H,20,23)(H,21,24)
InChIKeyVUCHJWGOLKCSPG-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.18
Rot. Bonds4

About N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide

N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 18587364) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID18587364
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C17H14N4O4/c18-15(22)14-13(11-6-1-2-7-12(11)25-14)21-17(24)16(23)20-9-10-5-3-4-8-19-10/h1-8H,9H2,(H2,18,22)(H,20,23)(H,21,24)
InChIKeyVUCHJWGOLKCSPG-UHFFFAOYSA-N
XLogP1.18
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide (CID 18587364) is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide is NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is VUCHJWGOLKCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c18-15(22)14-13(11-6-1-2-7-12(11)25-14)21-17(24)16(23)20-9-10-5-3-4-8-19-10/h1-8H,9H2,(H2,18,22)(H,20,23)(H,21,24).
What are the key properties of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 338.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 18587364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).