N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide

C15H22ClN3O2 — CID 99823256

IUPACN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)10-14(20)18-11-5-7-12(8-6-11)21-15-13(16)4-3-9-17-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyCHSWAIBVHKDYTF-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.10
Rot. Bonds5

About N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide

N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide (PubChem CID 99823256) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
PubChem CID99823256
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)10-14(20)18-11-5-7-12(8-6-11)21-15-13(16)4-3-9-17-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyCHSWAIBVHKDYTF-UHFFFAOYSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide (CID 99823256) is N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide?
The InChIKey is CHSWAIBVHKDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(2)10-14(20)18-11-5-7-12(8-6-11)21-15-13(16)4-3-9-17-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide?
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide has a molecular weight of 311.81 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 99823256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).