N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide

C17H15N3O2 — CID 8825879

IUPACN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C17H15N3O2/c1-2-15-14(13-5-3-4-6-16(13)22-15)11-19-20-17(21)12-7-9-18-10-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11-
InChIKeyLLZWCDNVKSUIFR-ODLFYWEKSA-N
MW293.33 g/mol
LogP3.15
Rot. Bonds4

About N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 8825879) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID8825879
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C17H15N3O2/c1-2-15-14(13-5-3-4-6-16(13)22-15)11-19-20-17(21)12-7-9-18-10-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11-
InChIKeyLLZWCDNVKSUIFR-ODLFYWEKSA-N
XLogP3.15
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 9015206
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882780
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide (CID 8825879) is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide is CCc1oc2ccccc2c1/C=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is LLZWCDNVKSUIFR-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-15-14(13-5-3-4-6-16(13)22-15)11-19-20-17(21)12-7-9-18-10-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 8825879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).