N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide

C14H13N3O2 — CID 5369888

IUPACN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1
InChIInChI=1S/C14H13N3O2/c1-11(6-7-13-5-3-9-19-13)16-17-14(18)12-4-2-8-15-10-12/h2-10H,1H3,(H,17,18)/b7-6+,16-11+
InChIKeyXBWPZJMPCZZRSM-NHTOTWMQSA-N
MW255.28 g/mol
LogP2.49
Rot. Bonds4

About N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide

N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide (PubChem CID 5369888) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide
PubChem CID5369888
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1
InChIInChI=1S/C14H13N3O2/c1-11(6-7-13-5-3-9-19-13)16-17-14(18)12-4-2-8-15-10-12/h2-10H,1H3,(H,17,18)/b7-6+,16-11+
InChIKeyXBWPZJMPCZZRSM-NHTOTWMQSA-N
XLogP2.49
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.49
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)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide (CID 5369888) is N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide is CC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide?
The InChIKey is XBWPZJMPCZZRSM-NHTOTWMQSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-11(6-7-13-5-3-9-19-13)16-17-14(18)12-4-2-8-15-10-12/h2-10H,1H3,(H,17,18)/b7-6+,16-11+.
What are the key properties of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 5369888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).