2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide

C13H17N5O — CID 60726886

IUPAC2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESN#Cc1ccnc(NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C13H17N5O/c14-8-10-1-4-16-13(7-10)17-11-2-5-18(6-3-11)9-12(15)19/h1,4,7,11H,2-3,5-6,9H2,(H2,15,19)(H,16,17)
InChIKeyFXZCEQXDDVQHDP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 60726886) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID60726886
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESN#Cc1ccnc(NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C13H17N5O/c14-8-10-1-4-16-13(7-10)17-11-2-5-18(6-3-11)9-12(15)19/h1,4,7,11H,2-3,5-6,9H2,(H2,15,19)(H,16,17)
InChIKeyFXZCEQXDDVQHDP-UHFFFAOYSA-N
XLogP0.31
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 60726886) is 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide is N#Cc1ccnc(NC2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is FXZCEQXDDVQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-8-10-1-4-16-13(7-10)17-11-2-5-18(6-3-11)9-12(15)19/h1,4,7,11H,2-3,5-6,9H2,(H2,15,19)(H,16,17).
What are the key properties of 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 60726886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).