4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide

C17H27N3O — CID 102628763

IUPAC4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(N)C(C)C2(C)C)n1
InChIInChI=1S/C17H27N3O/c1-11-6-5-7-13(20-11)10-19-16(21)14-8-9-15(18)12(2)17(14,3)4/h5-7,12,14-15H,8-10,18H2,1-4H3,(H,19,21)
InChIKeyXWLYRCSHXWUHIU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.41
Rot. Bonds3

About 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 102628763) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID102628763
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(N)C(C)C2(C)C)n1
InChIInChI=1S/C17H27N3O/c1-11-6-5-7-13(20-11)10-19-16(21)14-8-9-15(18)12(2)17(14,3)4/h5-7,12,14-15H,8-10,18H2,1-4H3,(H,19,21)
InChIKeyXWLYRCSHXWUHIU-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 102628763) is 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide is Cc1cccc(CNC(=O)C2CCC(N)C(C)C2(C)C)n1.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XWLYRCSHXWUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11-6-5-7-13(20-11)10-19-16(21)14-8-9-15(18)12(2)17(14,3)4/h5-7,12,14-15H,8-10,18H2,1-4H3,(H,19,21).
What are the key properties of 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).