6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile

C13H16N4O — CID 115576194

IUPAC6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(=O)N2CCCC2)nc1
InChIInChI=1S/C13H16N4O/c14-9-11-3-4-12(16-10-11)15-6-5-13(18)17-7-1-2-8-17/h3-4,10H,1-2,5-8H2,(H,15,16)
InChIKeyFIZBRTOMXBXEIG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

About 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile

6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 115576194) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
PubChem CID115576194
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(=O)N2CCCC2)nc1
InChIInChI=1S/C13H16N4O/c14-9-11-3-4-12(16-10-11)15-6-5-13(18)17-7-1-2-8-17/h3-4,10H,1-2,5-8H2,(H,15,16)
InChIKeyFIZBRTOMXBXEIG-UHFFFAOYSA-N
XLogP1.38
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
CID 113222141

Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile (CID 115576194) is 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NCCC(=O)N2CCCC2)nc1.
What is the InChIKey of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is FIZBRTOMXBXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-11-3-4-12(16-10-11)15-6-5-13(18)17-7-1-2-8-17/h3-4,10H,1-2,5-8H2,(H,15,16).
What are the key properties of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115576194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).