2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide

C17H27N3O2 — CID 111461807

IUPAC2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC2(O)CCC(C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13-7-9-17(22,10-8-13)12-20(3)11-16(21)19-15-6-4-5-14(2)18-15/h4-6,13,22H,7-12H2,1-3H3,(H,18,19,21)
InChIKeyDVBOITIQRNQYOP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.20
Rot. Bonds5

About 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide

2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 111461807) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID111461807
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC2(O)CCC(C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13-7-9-17(22,10-8-13)12-20(3)11-16(21)19-15-6-4-5-14(2)18-15/h4-6,13,22H,7-12H2,1-3H3,(H,18,19,21)
InChIKeyDVBOITIQRNQYOP-UHFFFAOYSA-N
XLogP2.20
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide (CID 111461807) is 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CN(C)CC2(O)CCC(C)CC2)n1.
What is the InChIKey of 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is DVBOITIQRNQYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-9-17(22,10-8-13)12-20(3)11-16(21)19-15-6-4-5-14(2)18-15/h4-6,13,22H,7-12H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 111461807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).