2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide

C11H18N4O — CID 81051566

IUPAC2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
SMILESCNCCNc1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C11H18N4O/c1-7-6-9(14-5-4-13-3)10(11(12)16)8(2)15-7/h6,13H,4-5H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyCXPZUCICVJUKAR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.43
Rot. Bonds5

About 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide

2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 81051566) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
PubChem CID81051566
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
SMILESCNCCNc1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C11H18N4O/c1-7-6-9(14-5-4-13-3)10(11(12)16)8(2)15-7/h6,13H,4-5H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyCXPZUCICVJUKAR-UHFFFAOYSA-N
XLogP0.43
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide (CID 81051566) is 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide is CNCCNc1cc(C)nc(C)c1C(N)=O.
What is the InChIKey of 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is CXPZUCICVJUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-6-9(14-5-4-13-3)10(11(12)16)8(2)15-7/h6,13H,4-5H2,1-3H3,(H2,12,16)(H,14,15).
What are the key properties of 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide?
2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 81051566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).