(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide

C11H12N4 — CID 87442734

IUPAC(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide
SMILESN#C/N=C/N1CCC(c2cccnc2)C1
InChIInChI=1S/C11H12N4/c12-8-14-9-15-5-3-11(7-15)10-2-1-4-13-6-10/h1-2,4,6,9,11H,3,5,7H2/b14-9+
InChIKeyGXYCPTSBWUOUTR-NTEUORMPSA-N
MW200.25 g/mol
LogP1.38
Rot. Bonds2

About (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide

(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide (PubChem CID 87442734) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide.

Molecular Properties

Compound Name(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide
PubChem CID87442734
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide
SMILESN#C/N=C/N1CCC(c2cccnc2)C1
InChIInChI=1S/C11H12N4/c12-8-14-9-15-5-3-11(7-15)10-2-1-4-13-6-10/h1-2,4,6,9,11H,3,5,7H2/b14-9+
InChIKeyGXYCPTSBWUOUTR-NTEUORMPSA-N
XLogP1.38
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine
CID 166380312
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
CID 136550171
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
3-pyridin-4-ylpyrrolidine-1-carbaldehyde
CID 89171027

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide?
The IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide (CID 87442734) is (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide.
What is the SMILES notation for (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide?
The canonical SMILES for (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide is N#C/N=C/N1CCC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide?
The InChIKey is GXYCPTSBWUOUTR-NTEUORMPSA-N. The full InChI is InChI=1S/C11H12N4/c12-8-14-9-15-5-3-11(7-15)10-2-1-4-13-6-10/h1-2,4,6,9,11H,3,5,7H2/b14-9+.
What are the key properties of (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide?
(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide has a molecular weight of 200.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide is sourced from PubChem (CID 87442734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).