5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

C17H19ClN6O — CID 163343448

IUPAC5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1nc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H19ClN6O/c1-22-17(25)24(13-2-3-13)15(21-22)12-4-6-23(7-5-12)16-14(18)8-11(9-19)10-20-16/h8,10,12-13H,2-7H2,1H3
InChIKeyAPFLYAOLRYPMNI-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.22
Rot. Bonds3

About 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 163343448) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID163343448
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1nc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H19ClN6O/c1-22-17(25)24(13-2-3-13)15(21-22)12-4-6-23(7-5-12)16-14(18)8-11(9-19)10-20-16/h8,10,12-13H,2-7H2,1H3
InChIKeyAPFLYAOLRYPMNI-UHFFFAOYSA-N
XLogP2.22
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 163343448) is 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cn1nc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n(C2CC2)c1=O.
What is the InChIKey of 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is APFLYAOLRYPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-22-17(25)24(13-2-3-13)15(21-22)12-4-6-23(7-5-12)16-14(18)8-11(9-19)10-20-16/h8,10,12-13H,2-7H2,1H3.
What are the key properties of 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 358.83 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163343448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).