1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine

C11H9N5O — CID 21152599

IUPAC1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N/c1ccco1)Nc1cccnc1
InChIInChI=1S/C11H9N5O/c12-8-14-11(16-10-4-2-6-17-10)15-9-3-1-5-13-7-9/h1-7H,(H2,14,15,16)
InChIKeyPZKBYBUTYHHISJ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.84
Rot. Bonds2

About 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine

1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine (PubChem CID 21152599) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine
PubChem CID21152599
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N/c1ccco1)Nc1cccnc1
InChIInChI=1S/C11H9N5O/c12-8-14-11(16-10-4-2-6-17-10)15-9-3-1-5-13-7-9/h1-7H,(H2,14,15,16)
InChIKeyPZKBYBUTYHHISJ-UHFFFAOYSA-N
XLogP1.84
TPSA86.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyano-2-[(2S)-3,3-dimethylbutan-2-yl]-3-pyridin-3-ylguanidine
CID 14443568
1-cyano-2-(2-methylpentan-2-yl)-3-pyridin-3-ylguanidine
CID 3042788
4-bromo-N-[1-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethylpropyl]benzamide
CID 91376987
N-[2,2,2-trichloro-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]ethyl]benzamide
CID 22953517
4-chloro-N-[(1R)-2,2-dichloro-1-[(Z)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]propyl]benzamide
CID 54582951
N-[1-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethylpropyl]-3-phenylpropanamide
CID 73462636
4-chloro-N-[(1S)-2,2-dichloro-1-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]propyl]benzamide
CID 91333617
4-chloro-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-hydroxy-2,2-dimethylpropyl]benzamide
CID 18770686
3-chloro-N-[2,2-dichloro-1-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]propyl]benzamide
CID 85331489
pyridin-3-ylcyanamide
CID 12652072
1-cyano-2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylguanidine
CID 146670460
N-[1-[(Z)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethylpropyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 10181463

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine?
The IUPAC name of 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine (CID 21152599) is 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine is N#CN/C(=N/c1ccco1)Nc1cccnc1.
What is the InChIKey of 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine?
The InChIKey is PZKBYBUTYHHISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-8-14-11(16-10-4-2-6-17-10)15-9-3-1-5-13-7-9/h1-7H,(H2,14,15,16).
What are the key properties of 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine?
1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine has a molecular weight of 227.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(furan-2-yl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 21152599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).