3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide

C20H20Cl3N3O2 — CID 97023352

IUPAC3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C20H20Cl3N3O2/c1-11-4-3-5-12(2)26(11)20(28)14-10-13(21)6-8-16(14)24-19(27)18-15(22)7-9-17(23)25-18/h6-12H,3-5H2,1-2H3,(H,24,27)/t11-,12-/m0/s1
InChIKeyVLTGEFMKVGXGSH-RYUDHWBXSA-N
MW440.76 g/mol
LogP5.70
Rot. Bonds3

About 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide

3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide (PubChem CID 97023352) has the molecular formula C20H20Cl3N3O2 and a molecular weight of 440.76 g/mol. Its IUPAC name is 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
PubChem CID97023352
Molecular FormulaC20H20Cl3N3O2
Molecular Weight440.76 g/mol
Exact Mass439.06
IUPAC Name3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C20H20Cl3N3O2/c1-11-4-3-5-12(2)26(11)20(28)14-10-13(21)6-8-16(14)24-19(27)18-15(22)7-9-17(23)25-18/h6-12H,3-5H2,1-2H3,(H,24,27)/t11-,12-/m0/s1
InChIKeyVLTGEFMKVGXGSH-RYUDHWBXSA-N
XLogP5.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
CID 112820697
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
CID 95931919
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112822319
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
N-[4-chloro-2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 97023347
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97023349
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 78889107
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78862474
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide (CID 97023352) is 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide is C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is VLTGEFMKVGXGSH-RYUDHWBXSA-N. The full InChI is InChI=1S/C20H20Cl3N3O2/c1-11-4-3-5-12(2)26(11)20(28)14-10-13(21)6-8-16(14)24-19(27)18-15(22)7-9-17(23)25-18/h6-12H,3-5H2,1-2H3,(H,24,27)/t11-,12-/m0/s1.
What are the key properties of 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide?
3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 440.76 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 97023352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).