N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide

C13H11N3O2 — CID 6865075

IUPACN-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C/C=C\c1ccco1)c1ccccn1
InChIInChI=1S/C13H11N3O2/c17-13(12-7-1-2-8-14-12)16-15-9-3-5-11-6-4-10-18-11/h1-10H,(H,16,17)/b5-3-,15-9+
InChIKeyHANYBAJJUQPCHB-WURXWAMFSA-N
MW241.25 g/mol
LogP2.10
Rot. Bonds4

About N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide

N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 6865075) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID6865075
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C/C=C\c1ccco1)c1ccccn1
InChIInChI=1S/C13H11N3O2/c17-13(12-7-1-2-8-14-12)16-15-9-3-5-11-6-4-10-18-11/h1-10H,(H,16,17)/b5-3-,15-9+
InChIKeyHANYBAJJUQPCHB-WURXWAMFSA-N
XLogP2.10
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide (CID 6865075) is N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide is O=C(N/N=C/C=C\c1ccco1)c1ccccn1.
What is the InChIKey of N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is HANYBAJJUQPCHB-WURXWAMFSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(12-7-1-2-8-14-12)16-15-9-3-5-11-6-4-10-18-11/h1-10H,(H,16,17)/b5-3-,15-9+.
What are the key properties of N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide?
N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 6865075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).