5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile

C19H19FN6O2 — CID 162376377

IUPAC5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3cc(F)ncn3)CC2)c1
InChIInChI=1S/C19H19FN6O2/c20-17-8-18(24-12-23-17)25-4-1-14(2-5-25)19(27)26-16(3-6-28-26)15-7-13(9-21)10-22-11-15/h7-8,10-12,14,16H,1-6H2/t16-/m0/s1
InChIKeyYILHKLPGFJMZEQ-INIZCTEOSA-N
MW382.40 g/mol
LogP2.00
Rot. Bonds3

About 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile

5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile (PubChem CID 162376377) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
PubChem CID162376377
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3cc(F)ncn3)CC2)c1
InChIInChI=1S/C19H19FN6O2/c20-17-8-18(24-12-23-17)25-4-1-14(2-5-25)19(27)26-16(3-6-28-26)15-7-13(9-21)10-22-11-15/h7-8,10-12,14,16H,1-6H2/t16-/m0/s1
InChIKeyYILHKLPGFJMZEQ-INIZCTEOSA-N
XLogP2.00
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile (CID 162376377) is 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile is N#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3cc(F)ncn3)CC2)c1.
What is the InChIKey of 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The InChIKey is YILHKLPGFJMZEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-17-8-18(24-12-23-17)25-4-1-14(2-5-25)19(27)26-16(3-6-28-26)15-7-13(9-21)10-22-11-15/h7-8,10-12,14,16H,1-6H2/t16-/m0/s1.
What are the key properties of 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile has a molecular weight of 382.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-2-[1-(6-fluoropyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 162376377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).