4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide

C17H16ClN3O2 — CID 146147900

IUPAC4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
SMILESO=C1CC[C@@H](NC(=O)c2cc(Cl)ccn2)[C@H](c2ccccc2)N1
InChIInChI=1S/C17H16ClN3O2/c18-12-8-9-19-14(10-12)17(23)20-13-6-7-15(22)21-16(13)11-4-2-1-3-5-11/h1-5,8-10,13,16H,6-7H2,(H,20,23)(H,21,22)/t13-,16+/m1/s1
InChIKeyVGLKQRVOGFENIF-CJNGLKHVSA-N
MW329.79 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide

4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide (PubChem CID 146147900) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
PubChem CID146147900
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
SMILESO=C1CC[C@@H](NC(=O)c2cc(Cl)ccn2)[C@H](c2ccccc2)N1
InChIInChI=1S/C17H16ClN3O2/c18-12-8-9-19-14(10-12)17(23)20-13-6-7-15(22)21-16(13)11-4-2-1-3-5-11/h1-5,8-10,13,16H,6-7H2,(H,20,23)(H,21,22)/t13-,16+/m1/s1
InChIKeyVGLKQRVOGFENIF-CJNGLKHVSA-N
XLogP2.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide (CID 146147900) is 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide is O=C1CC[C@@H](NC(=O)c2cc(Cl)ccn2)[C@H](c2ccccc2)N1.
What is the InChIKey of 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is VGLKQRVOGFENIF-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-12-8-9-19-14(10-12)17(23)20-13-6-7-15(22)21-16(13)11-4-2-1-3-5-11/h1-5,8-10,13,16H,6-7H2,(H,20,23)(H,21,22)/t13-,16+/m1/s1.
What are the key properties of 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide?
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146147900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).