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

C12H11N5O — CID 3050754

IUPAC1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N\Cc1ccco1)Nc1cccnc1
InChIInChI=1S/C12H11N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1-7H,8H2,(H2,15,16,17)
InChIKeySYUCVQXHDYYESU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds3

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

1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine (PubChem CID 3050754) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine
PubChem CID3050754
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N\Cc1ccco1)Nc1cccnc1
InChIInChI=1S/C12H11N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1-7H,8H2,(H2,15,16,17)
InChIKeySYUCVQXHDYYESU-UHFFFAOYSA-N
XLogP1.71
TPSA86.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.71
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

N-(furan-2-ylmethyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 970504
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-(6-methoxypyridin-3-yl)furan-2-carboxamide
CID 4780428
2-Furancarboxamide, N-3-pyridinyl-
CID 148023
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
N-[(Furan-2-yl)methyl]pyridin-2-amine
CID 252569
N-[(furan-2-yl)methyl]pyridin-3-amine
CID 4962056
Furan-2-carboxylic acid (6-isobutyrylamino-pyridin-3-yl)-amide
CID 649659
Furan-2-carboxylic acid [6-(cyclopropanecarbonyl-amino)-pyridin-3-yl]-amide
CID 650463
N-[6-(furan-2-carbonylamino)pyridin-3-yl]pyridine-2-carboxamide
CID 655025

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine?
The IUPAC name of 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine (CID 3050754) is 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine is N#CN/C(=N\Cc1ccco1)Nc1cccnc1.
What is the InChIKey of 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine?
The InChIKey is SYUCVQXHDYYESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1-7H,8H2,(H2,15,16,17).
What are the key properties of 1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine?
1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 3 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-ylmethyl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 3050754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).