2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C14H19N3O — CID 63983643

IUPAC2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H19N3O/c1-5-14(2,3)16(4)13-11(10-18)17-9-7-6-8-12(17)15-13/h6-10H,5H2,1-4H3
InChIKeyAXUDZKCVUIPVSF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds4

About 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 63983643) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID63983643
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H19N3O/c1-5-14(2,3)16(4)13-11(10-18)17-9-7-6-8-12(17)15-13/h6-10H,5H2,1-4H3
InChIKeyAXUDZKCVUIPVSF-UHFFFAOYSA-N
XLogP2.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 63983643) is 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)(C)N(C)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is AXUDZKCVUIPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-14(2,3)16(4)13-11(10-18)17-9-7-6-8-12(17)15-13/h6-10H,5H2,1-4H3.
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 245.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 63983643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).