6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile

C13H16N4O — CID 112692141

IUPAC6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H16N4O/c14-10-11-4-3-5-12(16-11)15-7-6-13(18)17-8-1-2-9-17/h3-5H,1-2,6-9H2,(H,15,16)
InChIKeyJLAIMYFJGGWGEL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

About 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile

6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 112692141) 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-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
PubChem CID112692141
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H16N4O/c14-10-11-4-3-5-12(16-11)15-7-6-13(18)17-8-1-2-9-17/h3-5H,1-2,6-9H2,(H,15,16)
InChIKeyJLAIMYFJGGWGEL-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-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510

Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile (CID 112692141) is 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile is N#Cc1cccc(NCCC(=O)N2CCCC2)n1.
What is the InChIKey of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is JLAIMYFJGGWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-10-11-4-3-5-12(16-11)15-7-6-13(18)17-8-1-2-9-17/h3-5H,1-2,6-9H2,(H,15,16).
What are the key properties of 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-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-2-carbonitrile is sourced from PubChem (CID 112692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).