N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide

C13H11N3O2 — CID 6893827

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1ccncc1
InChIInChI=1S/C13H11N3O2/c17-13(11-5-8-14-9-6-11)16-15-7-1-3-12-4-2-10-18-12/h1-10H,(H,16,17)/b3-1+,15-7+
InChIKeyPDDIWLUJAMUWCT-AIBSJQBZSA-N
MW241.25 g/mol
LogP2.10
Rot. Bonds4

About N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide (PubChem CID 6893827) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
PubChem CID6893827
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1ccncc1
InChIInChI=1S/C13H11N3O2/c17-13(11-5-8-14-9-6-11)16-15-7-1-3-12-4-2-10-18-12/h1-10H,(H,16,17)/b3-1+,15-7+
InChIKeyPDDIWLUJAMUWCT-AIBSJQBZSA-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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Related Compounds

N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
CID 40989624
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6842495
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-(prop-2-enylideneamino)pyridine-4-carboxamide
CID 141269925
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 129431954
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129440322
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide (CID 6893827) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide is O=C(N/N=C/C=C/c1ccco1)c1ccncc1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The InChIKey is PDDIWLUJAMUWCT-AIBSJQBZSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(11-5-8-14-9-6-11)16-15-7-1-3-12-4-2-10-18-12/h1-10H,(H,16,17)/b3-1+,15-7+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 6893827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).