6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile

C15H21N5O — CID 11289193

IUPAC6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC[C@H](N)C(=O)N2CCCCC2)nc1
InChIInChI=1S/C15H21N5O/c16-10-12-4-5-14(19-11-12)18-7-6-13(17)15(21)20-8-2-1-3-9-20/h4-5,11,13H,1-3,6-9,17H2,(H,18,19)/t13-/m0/s1
InChIKeyWGNWOSQRJCHYPW-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.10
Rot. Bonds5

About 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile

6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile (PubChem CID 11289193) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile
PubChem CID11289193
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC[C@H](N)C(=O)N2CCCCC2)nc1
InChIInChI=1S/C15H21N5O/c16-10-12-4-5-14(19-11-12)18-7-6-13(17)15(21)20-8-2-1-3-9-20/h4-5,11,13H,1-3,6-9,17H2,(H,18,19)/t13-/m0/s1
InChIKeyWGNWOSQRJCHYPW-ZDUSSCGKSA-N
XLogP1.10
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile (CID 11289193) is 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NCC[C@H](N)C(=O)N2CCCCC2)nc1.
What is the InChIKey of 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile?
The InChIKey is WGNWOSQRJCHYPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c16-10-12-4-5-14(19-11-12)18-7-6-13(17)15(21)20-8-2-1-3-9-20/h4-5,11,13H,1-3,6-9,17H2,(H,18,19)/t13-/m0/s1.
What are the key properties of 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile?
6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11289193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).