N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C24H25N3O4 — CID 139269102

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)cc3c2OC(C)C3)cn1
InChIInChI=1S/C24H25N3O4/c1-13-7-14(2)27-24(29)20(13)12-26-23(28)18-9-17-8-15(3)31-22(17)19(10-18)16-5-6-21(30-4)25-11-16/h5-7,9-11,15,20H,8,12H2,1-4H3,(H,26,28)
InChIKeyZZPUDFLXGUAUJC-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.37
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 139269102) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID139269102
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)cc3c2OC(C)C3)cn1
InChIInChI=1S/C24H25N3O4/c1-13-7-14(2)27-24(29)20(13)12-26-23(28)18-9-17-8-15(3)31-22(17)19(10-18)16-5-6-21(30-4)25-11-16/h5-7,9-11,15,20H,8,12H2,1-4H3,(H,26,28)
InChIKeyZZPUDFLXGUAUJC-UHFFFAOYSA-N
XLogP3.37
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 139269102) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)cc3c2OC(C)C3)cn1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is ZZPUDFLXGUAUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-13-7-14(2)27-24(29)20(13)12-26-23(28)18-9-17-8-15(3)31-22(17)19(10-18)16-5-6-21(30-4)25-11-16/h5-7,9-11,15,20H,8,12H2,1-4H3,(H,26,28).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).