N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C16H23ClN4O2 — CID 155532631

IUPACN'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccnc(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C16H23ClN4O2/c1-15(2)8-11(9-16(3,4)21-15)20-14(23)13(22)19-10-5-6-18-12(17)7-10/h5-7,11,21H,8-9H2,1-4H3,(H,20,23)(H,18,19,22)
InChIKeyHLHOANYZUQUIGF-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.10
Rot. Bonds2

About N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 155532631) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID155532631
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccnc(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C16H23ClN4O2/c1-15(2)8-11(9-16(3,4)21-15)20-14(23)13(22)19-10-5-6-18-12(17)7-10/h5-7,11,21H,8-9H2,1-4H3,(H,20,23)(H,18,19,22)
InChIKeyHLHOANYZUQUIGF-UHFFFAOYSA-N
XLogP2.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 155532631) is N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccnc(Cl)c2)CC(C)(C)N1.
What is the InChIKey of N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is HLHOANYZUQUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-15(2)8-11(9-16(3,4)21-15)20-14(23)13(22)19-10-5-6-18-12(17)7-10/h5-7,11,21H,8-9H2,1-4H3,(H,20,23)(H,18,19,22).
What are the key properties of N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 338.84 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 155532631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).