[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid

C11H12N4O2 — CID 142318568

IUPAC[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESN#Cc1ccnc(N2CCC(NC(=O)O)C2)c1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-3-13-10(5-8)15-4-2-9(7-15)14-11(16)17/h1,3,5,9,14H,2,4,7H2,(H,16,17)
InChIKeyBESPNODTXKBXQX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.80
Rot. Bonds2

About [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid

[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 142318568) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
PubChem CID142318568
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESN#Cc1ccnc(N2CCC(NC(=O)O)C2)c1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-3-13-10(5-8)15-4-2-9(7-15)14-11(16)17/h1,3,5,9,14H,2,4,7H2,(H,16,17)
InChIKeyBESPNODTXKBXQX-UHFFFAOYSA-N
XLogP0.80
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
methyl 1-(4-cyano-2-pyridinyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 175877412
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135335154
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid (CID 142318568) is [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid is N#Cc1ccnc(N2CCC(NC(=O)O)C2)c1.
What is the InChIKey of [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is BESPNODTXKBXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-8-1-3-13-10(5-8)15-4-2-9(7-15)14-11(16)17/h1,3,5,9,14H,2,4,7H2,(H,16,17).
What are the key properties of [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 232.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 142318568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).