5-(piperidin-3-ylamino)pyridine-2-carbonitrile

C11H14N4 — CID 115490388

IUPAC5-(piperidin-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCCNC2)cn1
InChIInChI=1S/C11H14N4/c12-6-9-3-4-11(8-14-9)15-10-2-1-5-13-7-10/h3-4,8,10,13,15H,1-2,5,7H2
InChIKeyQRIFVIGQZWSMBJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.12
Rot. Bonds2

About 5-(piperidin-3-ylamino)pyridine-2-carbonitrile

5-(piperidin-3-ylamino)pyridine-2-carbonitrile (PubChem CID 115490388) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(piperidin-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(piperidin-3-ylamino)pyridine-2-carbonitrile
PubChem CID115490388
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(piperidin-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCCNC2)cn1
InChIInChI=1S/C11H14N4/c12-6-9-3-4-11(8-14-9)15-10-2-1-5-13-7-10/h3-4,8,10,13,15H,1-2,5,7H2
InChIKeyQRIFVIGQZWSMBJ-UHFFFAOYSA-N
XLogP1.12
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-[(3-methylsulfanylcyclohexyl)amino]pyridine-2-carbonitrile
CID 91659454
5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 151835597
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 115487454
5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
CID 113321442
5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile
CID 102609185
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
N-(1H-pyrrol-3-yl)piperidin-3-amine
CID 83695048

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(piperidin-3-ylamino)pyridine-2-carbonitrile (CID 115490388) is 5-(piperidin-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(piperidin-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(piperidin-3-ylamino)pyridine-2-carbonitrile is N#Cc1ccc(NC2CCCNC2)cn1.
What is the InChIKey of 5-(piperidin-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is QRIFVIGQZWSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-6-9-3-4-11(8-14-9)15-10-2-1-5-13-7-10/h3-4,8,10,13,15H,1-2,5,7H2.
What are the key properties of 5-(piperidin-3-ylamino)pyridine-2-carbonitrile?
5-(piperidin-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115490388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).