3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C23H36N4O2 — CID 74422918

IUPAC3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC
InChIInChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28)
InChIKeyHQAWIENKLMQWHU-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.45
Rot. Bonds12

About 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74422918) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74422918
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC
InChIInChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28)
InChIKeyHQAWIENKLMQWHU-UHFFFAOYSA-N
XLogP4.45
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74422918) is 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC.
What is the InChIKey of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is HQAWIENKLMQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28).
What are the key properties of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 400.57 g/mol, XLogP of 4.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74422918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).