2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile

C16H21N7 — CID 56720085

IUPAC2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC(Cn1cncn1)NC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N7/c1-13(10-23-12-18-11-20-23)21-15-4-7-22(8-5-15)16-14(9-17)3-2-6-19-16/h2-3,6,11-13,15,21H,4-5,7-8,10H2,1H3
InChIKeyFCJRTDSDXISGMH-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56720085) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56720085
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC(Cn1cncn1)NC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N7/c1-13(10-23-12-18-11-20-23)21-15-4-7-22(8-5-15)16-14(9-17)3-2-6-19-16/h2-3,6,11-13,15,21H,4-5,7-8,10H2,1H3
InChIKeyFCJRTDSDXISGMH-UHFFFAOYSA-N
XLogP1.19
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 56720085) is 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile is CC(Cn1cncn1)NC1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FCJRTDSDXISGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-13(10-23-12-18-11-20-23)21-15-4-7-22(8-5-15)16-14(9-17)3-2-6-19-16/h2-3,6,11-13,15,21H,4-5,7-8,10H2,1H3.
What are the key properties of 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56720085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).