2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide

C15H24N4O2 — CID 63871182

IUPAC2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-10-2-7-13(14(17)20)15(19-10)18-8-9-21-12-5-3-11(16)4-6-12/h2,7,11-12H,3-6,8-9,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYCINZVRSAGVVIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide

2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide (PubChem CID 63871182) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
PubChem CID63871182
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-10-2-7-13(14(17)20)15(19-10)18-8-9-21-12-5-3-11(16)4-6-12/h2,7,11-12H,3-6,8-9,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYCINZVRSAGVVIM-UHFFFAOYSA-N
XLogP1.19
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide (CID 63871182) is 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)n1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide?
The InChIKey is YCINZVRSAGVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-2-7-13(14(17)20)15(19-10)18-8-9-21-12-5-3-11(16)4-6-12/h2,7,11-12H,3-6,8-9,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide?
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 63871182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).