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

C24H20N2O5 — CID 20931108

IUPACN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1OC
InChIInChI=1S/C24H20N2O5/c1-14-18-12-17(26-24(28)16-5-4-10-25-13-16)7-9-19(18)31-23(14)22(27)15-6-8-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(H,26,28)
InChIKeySGXVSVRDJVHJKU-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.64
Rot. Bonds6

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

N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide (PubChem CID 20931108) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
PubChem CID20931108
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1OC
InChIInChI=1S/C24H20N2O5/c1-14-18-12-17(26-24(28)16-5-4-10-25-13-16)7-9-19(18)31-23(14)22(27)15-6-8-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(H,26,28)
InChIKeySGXVSVRDJVHJKU-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-2-carboxamide
CID 42571259
4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773536
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
CID 16825907
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
N-(4-oxo-2-phenylchromen-6-yl)pyridine-3-carboxamide
CID 18568664
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide (CID 20931108) is N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide is COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide?
The InChIKey is SGXVSVRDJVHJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-14-18-12-17(26-24(28)16-5-4-10-25-13-16)7-9-19(18)31-23(14)22(27)15-6-8-20(29-2)21(11-15)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-3-carboxamide?
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 20931108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).