N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

C26H26N2O4 — CID 35573519

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1OC
InChIInChI=1S/C26H26N2O4/c1-16-12-17(2)24-18(3)25(32-22(24)13-16)26(29)28(23-8-6-7-11-27-23)15-19-9-10-20(30-4)21(14-19)31-5/h6-14H,15H2,1-5H3
InChIKeyWEQLDGZEIIWXHP-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.62
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (PubChem CID 35573519) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
PubChem CID35573519
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1OC
InChIInChI=1S/C26H26N2O4/c1-16-12-17(2)24-18(3)25(32-22(24)13-16)26(29)28(23-8-6-7-11-27-23)15-19-9-10-20(30-4)21(14-19)31-5/h6-14H,15H2,1-5H3
InChIKeyWEQLDGZEIIWXHP-UHFFFAOYSA-N
XLogP5.62
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 35578892
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344672
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 17011724
N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35578886
5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 139582584
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 35574237
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056200
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 53414297
N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344621
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (CID 35573519) is N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is COc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is WEQLDGZEIIWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16-12-17(2)24-18(3)25(32-22(24)13-16)26(29)28(23-8-6-7-11-27-23)15-19-9-10-20(30-4)21(14-19)31-5/h6-14H,15H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).