N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C23H19N3O4 — CID 122322778

IUPACN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O4/c1-14-7-8-26-12-18(24-22(26)9-14)15-3-5-19(28-2)17(10-15)25-23(27)16-4-6-20-21(11-16)30-13-29-20/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyAXCFVQKZJYJAST-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.30
Rot. Bonds4

About N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 122322778) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID122322778
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O4/c1-14-7-8-26-12-18(24-22(26)9-14)15-3-5-19(28-2)17(10-15)25-23(27)16-4-6-20-21(11-16)30-13-29-20/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyAXCFVQKZJYJAST-UHFFFAOYSA-N
XLogP4.30
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122322761
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 122322767
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 122322840
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-thiophen-2-ylbenzamide
CID 122322940
5-bromo-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122322854
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 122322905
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122322731
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 122322732
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 122322856
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219
3-(2,5-dimethoxyphenyl)-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 122322901
4-(dimethylamino)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
CID 122323182

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 122322778) is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is AXCFVQKZJYJAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-14-7-8-26-12-18(24-22(26)9-14)15-3-5-19(28-2)17(10-15)25-23(27)16-4-6-20-21(11-16)30-13-29-20/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 122322778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).