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

C18H19F2N5O — CID 118725472

IUPAC2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCC(C)(O)c1cc(Nc2cc(C#N)ccn2)nc(N2CCC(F)(F)C2)c1
InChIInChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24)
InChIKeyKSRDBIJRCOLMNC-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.16
Rot. Bonds4

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

2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 118725472) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID118725472
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCC(C)(O)c1cc(Nc2cc(C#N)ccn2)nc(N2CCC(F)(F)C2)c1
InChIInChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24)
InChIKeyKSRDBIJRCOLMNC-UHFFFAOYSA-N
XLogP3.16
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.16
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-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 118725472) is 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile is CC(C)(O)c1cc(Nc2cc(C#N)ccn2)nc(N2CCC(F)(F)C2)c1.
What is the InChIKey of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is KSRDBIJRCOLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 359.38 g/mol, XLogP of 3.16, 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-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 118725472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).