5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide

C13H20N4O — CID 104963536

IUPAC5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(Nc2nc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C13H20N4O/c1-8-2-4-9(5-3-8)16-13-10(14)6-7-11(17-13)12(15)18/h6-9H,2-5,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLRZHSAHCDFRCLE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds3

About 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide

5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide (PubChem CID 104963536) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
PubChem CID104963536
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(Nc2nc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C13H20N4O/c1-8-2-4-9(5-3-8)16-13-10(14)6-7-11(17-13)12(15)18/h6-9H,2-5,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLRZHSAHCDFRCLE-UHFFFAOYSA-N
XLogP1.75
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide (CID 104963536) is 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide is CC1CCC(Nc2nc(C(N)=O)ccc2N)CC1.
What is the InChIKey of 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The InChIKey is LRZHSAHCDFRCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-2-4-9(5-3-8)16-13-10(14)6-7-11(17-13)12(15)18/h6-9H,2-5,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 104963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).