5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile

C16H17ClN6O — CID 129002631

IUPAC5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(C#N)cc2Cl)cn1
InChIInChI=1S/C16H17ClN6O/c1-2-23-9-11(8-20-23)15-13(3-4-14(24)22-15)21-16-12(17)5-10(6-18)7-19-16/h5,7-9,13,15H,2-4H2,1H3,(H,19,21)(H,22,24)/t13-,15+/m1/s1
InChIKeyOBFZLODCNVHBGB-HIFRSBDPSA-N
MW344.81 g/mol
LogP2.25
Rot. Bonds4

About 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile

5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 129002631) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID129002631
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(C#N)cc2Cl)cn1
InChIInChI=1S/C16H17ClN6O/c1-2-23-9-11(8-20-23)15-13(3-4-14(24)22-15)21-16-12(17)5-10(6-18)7-19-16/h5,7-9,13,15H,2-4H2,1H3,(H,19,21)(H,22,24)/t13-,15+/m1/s1
InChIKeyOBFZLODCNVHBGB-HIFRSBDPSA-N
XLogP2.25
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile (CID 129002631) is 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile is CCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(C#N)cc2Cl)cn1.
What is the InChIKey of 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is OBFZLODCNVHBGB-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-2-23-9-11(8-20-23)15-13(3-4-14(24)22-15)21-16-12(17)5-10(6-18)7-19-16/h5,7-9,13,15H,2-4H2,1H3,(H,19,21)(H,22,24)/t13-,15+/m1/s1.
What are the key properties of 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile?
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 344.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 129002631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).