N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

C16H17N3O3 — CID 167753840

IUPACN-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)c1cc2c(o1)CCCC2
InChIInChI=1S/C16H17N3O3/c1-10(20)18-12-6-4-8-17-15(12)19-16(21)14-9-11-5-2-3-7-13(11)22-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyFCWZACJIEMMITH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.76
Rot. Bonds3

About N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (PubChem CID 167753840) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
PubChem CID167753840
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccnc1NC(=O)c1cc2c(o1)CCCC2
InChIInChI=1S/C16H17N3O3/c1-10(20)18-12-6-4-8-17-15(12)19-16(21)14-9-11-5-2-3-7-13(11)22-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyFCWZACJIEMMITH-UHFFFAOYSA-N
XLogP2.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CID 167753840) is N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is CC(=O)Nc1cccnc1NC(=O)c1cc2c(o1)CCCC2.
What is the InChIKey of N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The InChIKey is FCWZACJIEMMITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(20)18-12-6-4-8-17-15(12)19-16(21)14-9-11-5-2-3-7-13(11)22-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167753840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).