N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C23H20ClN3O2 — CID 71761820

IUPACN-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)nc2c1
InChIInChI=1S/C23H20ClN3O2/c1-15-11-12-27-21(13-15)26-16(2)22(27)23(28)25-14-17-3-7-19(8-4-17)29-20-9-5-18(24)6-10-20/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyLTFYEUARLCFXFH-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.33
Rot. Bonds5

About N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71761820) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71761820
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)nc2c1
InChIInChI=1S/C23H20ClN3O2/c1-15-11-12-27-21(13-15)26-16(2)22(27)23(28)25-14-17-3-7-19(8-4-17)29-20-9-5-18(24)6-10-20/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyLTFYEUARLCFXFH-UHFFFAOYSA-N
XLogP5.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 71761820) is N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)nc2c1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LTFYEUARLCFXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-15-11-12-27-21(13-15)26-16(2)22(27)23(28)25-14-17-3-7-19(8-4-17)29-20-9-5-18(24)6-10-20/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71761820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).