3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide

C24H25N5O2 — CID 71520881

IUPAC3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide
SMILESCCOc1ccc(-n2c(C(N)=O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H25N5O2/c1-3-16-5-7-17(8-6-16)14-26-18-13-21-23(27-15-18)29(24(28-21)22(25)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,26H,3-4,14H2,1-2H3,(H2,25,30)
InChIKeyVVDRAJVVDLGBMJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.09
Rot. Bonds8

About 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide

3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 71520881) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID71520881
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide
SMILESCCOc1ccc(-n2c(C(N)=O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H25N5O2/c1-3-16-5-7-17(8-6-16)14-26-18-13-21-23(27-15-18)29(24(28-21)22(25)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,26H,3-4,14H2,1-2H3,(H2,25,30)
InChIKeyVVDRAJVVDLGBMJ-UHFFFAOYSA-N
XLogP4.09
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide (CID 71520881) is 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide is CCOc1ccc(-n2c(C(N)=O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is VVDRAJVVDLGBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-16-5-7-17(8-6-16)14-26-18-13-21-23(27-15-18)29(24(28-21)22(25)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,26H,3-4,14H2,1-2H3,(H2,25,30).
What are the key properties of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide?
3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 71520881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).