2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H27N5O — CID 22147585

IUPAC2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN(CC)CCCNc1ccc(-c2cn3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C21H27N5O/c1-3-25(4-2)13-6-12-23-17-10-8-16(9-11-17)19-15-26-14-5-7-18(20(22)27)21(26)24-19/h5,7-11,14-15,23H,3-4,6,12-13H2,1-2H3,(H2,22,27)
InChIKeyHCNBEYGPWXHASB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds9

About 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 22147585) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID22147585
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN(CC)CCCNc1ccc(-c2cn3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C21H27N5O/c1-3-25(4-2)13-6-12-23-17-10-8-16(9-11-17)19-15-26-14-5-7-18(20(22)27)21(26)24-19/h5,7-11,14-15,23H,3-4,6,12-13H2,1-2H3,(H2,22,27)
InChIKeyHCNBEYGPWXHASB-UHFFFAOYSA-N
XLogP3.24
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
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-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 22147585) is 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is CCN(CC)CCCNc1ccc(-c2cn3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is HCNBEYGPWXHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-25(4-2)13-6-12-23-17-10-8-16(9-11-17)19-15-26-14-5-7-18(20(22)27)21(26)24-19/h5,7-11,14-15,23H,3-4,6,12-13H2,1-2H3,(H2,22,27).
What are the key properties of 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(diethylamino)propylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 22147585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).