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

C22H34N4O2 — CID 74371496

IUPAC3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CCC)CCCC
InChIInChI=1S/C22H34N4O2/c1-4-7-9-19-20(17-25(13-6-3)14-8-5-2)26-15-12-18(16-21(26)23-19)10-11-22(27)24-28/h10-12,15-16,28H,4-9,13-14,17H2,1-3H3,(H,24,27)
InChIKeyFAMYGZOROSXZLB-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.21
Rot. Bonds12

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

3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74371496) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74371496
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CCC)CCCC
InChIInChI=1S/C22H34N4O2/c1-4-7-9-19-20(17-25(13-6-3)14-8-5-2)26-15-12-18(16-21(26)23-19)10-11-22(27)24-28/h10-12,15-16,28H,4-9,13-14,17H2,1-3H3,(H,24,27)
InChIKeyFAMYGZOROSXZLB-UHFFFAOYSA-N
XLogP4.21
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.21
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74371496) is 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CCC)CCCC.
What is the InChIKey of 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is FAMYGZOROSXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-7-9-19-20(17-25(13-6-3)14-8-5-2)26-15-12-18(16-21(26)23-19)10-11-22(27)24-28/h10-12,15-16,28H,4-9,13-14,17H2,1-3H3,(H,24,27).
What are the key properties of 3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 386.54 g/mol, XLogP of 4.21, 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-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74371496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).