N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide

C14H15N3O2 — CID 154845650

IUPACN'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNc1ccccn1)c1cc2c(o1)CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(17-16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)19-12/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyFECQIVRRZDUTFU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.31
Rot. Bonds3

About N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide

N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide (PubChem CID 154845650) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide
PubChem CID154845650
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNc1ccccn1)c1cc2c(o1)CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(17-16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)19-12/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyFECQIVRRZDUTFU-UHFFFAOYSA-N
XLogP2.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide (CID 154845650) is N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide is O=C(NNc1ccccn1)c1cc2c(o1)CCCC2.
What is the InChIKey of N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide?
The InChIKey is FECQIVRRZDUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(17-16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)19-12/h3-4,7-9H,1-2,5-6H2,(H,15,16)(H,17,18).
What are the key properties of N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide?
N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide has a molecular weight of 257.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 154845650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).