2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide

C14H11N3O2 — CID 5138163

IUPAC2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2ccccn2)o1
InChIInChI=1S/C14H11N3O2/c1-10-5-6-12(19-10)8-11(9-15)14(18)17-13-4-2-3-7-16-13/h2-8H,1H3,(H,16,17,18)
InChIKeyPCFQQULQUOYGJO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.53
Rot. Bonds3

About 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide

2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 5138163) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
PubChem CID5138163
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2ccccn2)o1
InChIInChI=1S/C14H11N3O2/c1-10-5-6-12(19-10)8-11(9-15)14(18)17-13-4-2-3-7-16-13/h2-8H,1H3,(H,16,17,18)
InChIKeyPCFQQULQUOYGJO-UHFFFAOYSA-N
XLogP2.53
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420
2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4105918
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17373303
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide (CID 5138163) is 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide is Cc1ccc(C=C(C#N)C(=O)Nc2ccccn2)o1.
What is the InChIKey of 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is PCFQQULQUOYGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-5-6-12(19-10)8-11(9-15)14(18)17-13-4-2-3-7-16-13/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide?
2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 253.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 5138163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).