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

C24H22N2O2 — CID 35573006

IUPAC3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-7-10-19(11-8-16)15-26(22-6-4-5-13-25-22)24(27)23-18(3)20-12-9-17(2)14-21(20)28-23/h4-14H,15H2,1-3H3
InChIKeyUNTGWWCQNGNDDP-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.60
Rot. Bonds4

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

3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide (PubChem CID 35573006) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
PubChem CID35573006
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-7-10-19(11-8-16)15-26(22-6-4-5-13-25-22)24(27)23-18(3)20-12-9-17(2)14-21(20)28-23/h4-14H,15H2,1-3H3
InChIKeyUNTGWWCQNGNDDP-UHFFFAOYSA-N
XLogP5.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573519
N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 27104969
3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 35578892
N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35578886
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 35574237
6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide
CID 35341731
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 58917970
5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 139582584
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 70725060

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide (CID 35573006) is 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide is Cc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1.
What is the InChIKey of 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is UNTGWWCQNGNDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-7-10-19(11-8-16)15-26(22-6-4-5-13-25-22)24(27)23-18(3)20-12-9-17(2)14-21(20)28-23/h4-14H,15H2,1-3H3.
What are the key properties of 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35573006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).