3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile

C15H16ClN5O — CID 125130905

IUPAC3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C[C@@H]2CCCN(c3ccc(Cl)c(C#N)n3)C2)no1
InChIInChI=1S/C15H16ClN5O/c1-10-18-14(20-22-10)7-11-3-2-6-21(9-11)15-5-4-12(16)13(8-17)19-15/h4-5,11H,2-3,6-7,9H2,1H3/t11-/m0/s1
InChIKeyVVYMZYFZNABUSY-NSHDSACASA-N
MW317.78 g/mol
LogP2.76
Rot. Bonds3

About 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 125130905) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID125130905
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C[C@@H]2CCCN(c3ccc(Cl)c(C#N)n3)C2)no1
InChIInChI=1S/C15H16ClN5O/c1-10-18-14(20-22-10)7-11-3-2-6-21(9-11)15-5-4-12(16)13(8-17)19-15/h4-5,11H,2-3,6-7,9H2,1H3/t11-/m0/s1
InChIKeyVVYMZYFZNABUSY-NSHDSACASA-N
XLogP2.76
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 125130905) is 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile is Cc1nc(C[C@@H]2CCCN(c3ccc(Cl)c(C#N)n3)C2)no1.
What is the InChIKey of 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VVYMZYFZNABUSY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-10-18-14(20-22-10)7-11-3-2-6-21(9-11)15-5-4-12(16)13(8-17)19-15/h4-5,11H,2-3,6-7,9H2,1H3/t11-/m0/s1.
What are the key properties of 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 317.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 125130905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).