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

C13H11N3O2 — CID 6881993

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-13(11-4-1-7-14-10-11)16-15-8-2-5-12-6-3-9-18-12/h1-10H,(H,16,17)/b5-2+,15-8+
InChIKeyCTXDMWBPCBADRF-JTWRYOSZSA-N
MW241.25 g/mol
LogP2.10
Rot. Bonds4

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

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 6881993) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID6881993
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-13(11-4-1-7-14-10-11)16-15-8-2-5-12-6-3-9-18-12/h1-10H,(H,16,17)/b5-2+,15-8+
InChIKeyCTXDMWBPCBADRF-JTWRYOSZSA-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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide (CID 6881993) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide is O=C(N/N=C/C=C/c1ccco1)c1cccnc1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is CTXDMWBPCBADRF-JTWRYOSZSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(11-4-1-7-14-10-11)16-15-8-2-5-12-6-3-9-18-12/h1-10H,(H,16,17)/b5-2+,15-8+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 6881993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).