2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile

C20H22F2N6 — CID 162747716

IUPAC2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCNCC3)cc(N3CCC(F)(F)C3)n2)c1
InChIInChI=1S/C20H22F2N6/c21-20(22)4-8-28(13-20)19-11-16(15-2-5-24-6-3-15)10-18(27-19)26-17-9-14(12-23)1-7-25-17/h1,7,9-11,15,24H,2-6,8,13H2,(H,25,26,27)
InChIKeyVWIXUPBGKKPBAG-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.40
Rot. Bonds4

About 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 162747716) has the molecular formula C20H22F2N6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID162747716
Molecular FormulaC20H22F2N6
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCNCC3)cc(N3CCC(F)(F)C3)n2)c1
InChIInChI=1S/C20H22F2N6/c21-20(22)4-8-28(13-20)19-11-16(15-2-5-24-6-3-15)10-18(27-19)26-17-9-14(12-23)1-7-25-17/h1,7,9-11,15,24H,2-6,8,13H2,(H,25,26,27)
InChIKeyVWIXUPBGKKPBAG-UHFFFAOYSA-N
XLogP3.40
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 162747716) is 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCNCC3)cc(N3CCC(F)(F)C3)n2)c1.
What is the InChIKey of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is VWIXUPBGKKPBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6/c21-20(22)4-8-28(13-20)19-11-16(15-2-5-24-6-3-15)10-18(27-19)26-17-9-14(12-23)1-7-25-17/h1,7,9-11,15,24H,2-6,8,13H2,(H,25,26,27).
What are the key properties of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 384.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 162747716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).