(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile

C13H9N3O2 — CID 5458906

IUPAC(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
SMILESN#C/C(=C/Nc1ccccn1)C(=O)c1ccco1
InChIInChI=1S/C13H9N3O2/c14-8-10(13(17)11-4-3-7-18-11)9-16-12-5-1-2-6-15-12/h1-7,9H,(H,15,16)/b10-9-
InChIKeyOQXJVIYHJGTXCN-KTKRTIGZSA-N
MW239.23 g/mol
LogP2.38
Rot. Bonds4

About (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile

(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile (PubChem CID 5458906) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
PubChem CID5458906
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
SMILESN#C/C(=C/Nc1ccccn1)C(=O)c1ccco1
InChIInChI=1S/C13H9N3O2/c14-8-10(13(17)11-4-3-7-18-11)9-16-12-5-1-2-6-15-12/h1-7,9H,(H,15,16)/b10-9-
InChIKeyOQXJVIYHJGTXCN-KTKRTIGZSA-N
XLogP2.38
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(cyclopropanecarbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 5458907
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pyridin-2-ylamino)prop-2-enamide
CID 108818677
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 108841172
(Z)-2-cyano-N-(4-propan-2-ylphenyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108820717
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108836709
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile
CID 9335898
N-[4-[(E)-2-cyano-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 9335339
(E)-2-(furan-2-carbonyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 9336182
(E)-3-[4-(cyanomethoxy)phenyl]-2-(furan-2-carbonyl)prop-2-enenitrile
CID 9336152
(E)-2-(furan-2-carbonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 9335436

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile?
The IUPAC name of (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile (CID 5458906) is (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile is N#C/C(=C/Nc1ccccn1)C(=O)c1ccco1.
What is the InChIKey of (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile?
The InChIKey is OQXJVIYHJGTXCN-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-8-10(13(17)11-4-3-7-18-11)9-16-12-5-1-2-6-15-12/h1-7,9H,(H,15,16)/b10-9-.
What are the key properties of (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile?
(Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile has a molecular weight of 239.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(furan-2-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile is sourced from PubChem (CID 5458906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).