4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide

C13H19N3O — CID 54913613

IUPAC4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESCc1cccc(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12(15-9)16-11-7-5-10(6-8-11)13(14)17/h2-4,10-11H,5-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyPDLRXSBQILBSKD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds3

About 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide

4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide (PubChem CID 54913613) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide
PubChem CID54913613
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESCc1cccc(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12(15-9)16-11-7-5-10(6-8-11)13(14)17/h2-4,10-11H,5-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyPDLRXSBQILBSKD-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide (CID 54913613) is 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide is Cc1cccc(NC2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The InChIKey is PDLRXSBQILBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-4-12(15-9)16-11-7-5-10(6-8-11)13(14)17/h2-4,10-11H,5-8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide?
4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54913613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).