[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid

C13H15N5O3 — CID 68581111

IUPAC[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESN#Cc1cc(C(N)=O)cc(N2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C13H15N5O3/c14-7-10-5-8(12(15)19)6-11(16-10)18-3-1-9(2-4-18)17-13(20)21/h5-6,9,17H,1-4H2,(H2,15,19)(H,20,21)
InChIKeyQHPYSLGUNKAQLY-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.29
Rot. Bonds3

About [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid

[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 68581111) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID68581111
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESN#Cc1cc(C(N)=O)cc(N2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C13H15N5O3/c14-7-10-5-8(12(15)19)6-11(16-10)18-3-1-9(2-4-18)17-13(20)21/h5-6,9,17H,1-4H2,(H2,15,19)(H,20,21)
InChIKeyQHPYSLGUNKAQLY-UHFFFAOYSA-N
XLogP0.29
TPSA132.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 68581111) is [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid is N#Cc1cc(C(N)=O)cc(N2CCC(NC(=O)O)CC2)n1.
What is the InChIKey of [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is QHPYSLGUNKAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-7-10-5-8(12(15)19)6-11(16-10)18-3-1-9(2-4-18)17-13(20)21/h5-6,9,17H,1-4H2,(H2,15,19)(H,20,21).
What are the key properties of [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid?
[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 289.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68581111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).