N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide

C24H20N2O5 — CID 42571259

IUPACN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccn4)cc3c2C)cc1OC
InChIInChI=1S/C24H20N2O5/c1-14-17-13-16(26-24(28)18-6-4-5-11-25-18)8-10-19(17)31-23(14)22(27)15-7-9-20(29-2)21(12-15)30-3/h4-13H,1-3H3,(H,26,28)
InChIKeyFUNUEFSSCXJWRD-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide

N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide (PubChem CID 42571259) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
PubChem CID42571259
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccn4)cc3c2C)cc1OC
InChIInChI=1S/C24H20N2O5/c1-14-17-13-16(26-24(28)18-6-4-5-11-25-18)8-10-19(17)31-23(14)22(27)15-7-9-20(29-2)21(12-15)30-3/h4-13H,1-3H3,(H,26,28)
InChIKeyFUNUEFSSCXJWRD-UHFFFAOYSA-N
XLogP4.64
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
CID 20931108
4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773536
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
CID 16825912
N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
CID 16825907
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide (CID 42571259) is N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide is COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccn4)cc3c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide?
The InChIKey is FUNUEFSSCXJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-14-17-13-16(26-24(28)18-6-4-5-11-25-18)8-10-19(17)31-23(14)22(27)15-7-9-20(29-2)21(12-15)30-3/h4-13H,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide?
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 42571259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).