[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C13H18ClN3O2 — CID 115875022

IUPAC[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCCC(C)(O)C2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-13(19)4-3-5-17(8-13)12(18)9-6-10(14)16-11(7-9)15-2/h6-7,19H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyPVOKCWKYDBSGPE-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.76
Rot. Bonds2

About [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115875022) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115875022
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCCC(C)(O)C2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-13(19)4-3-5-17(8-13)12(18)9-6-10(14)16-11(7-9)15-2/h6-7,19H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyPVOKCWKYDBSGPE-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115875022) is [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CNc1cc(C(=O)N2CCCC(C)(O)C2)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is PVOKCWKYDBSGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(19)4-3-5-17(8-13)12(18)9-6-10(14)16-11(7-9)15-2/h6-7,19H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115875022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).