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

C20H24N2O4 — CID 71881925

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2oc3c(c2C)C(=O)CCC3)c1C
InChIInChI=1S/C20H24N2O4/c1-11-9-21-14(12(2)18(11)25-5)10-22(4)20(24)19-13(3)17-15(23)7-6-8-16(17)26-19/h9H,6-8,10H2,1-5H3
InChIKeyZKAXBPGDMNBDAW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.40
Rot. Bonds4

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

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 71881925) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID71881925
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2oc3c(c2C)C(=O)CCC3)c1C
InChIInChI=1S/C20H24N2O4/c1-11-9-21-14(12(2)18(11)25-5)10-22(4)20(24)19-13(3)17-15(23)7-6-8-16(17)26-19/h9H,6-8,10H2,1-5H3
InChIKeyZKAXBPGDMNBDAW-UHFFFAOYSA-N
XLogP3.40
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 71881925) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is COc1c(C)cnc(CN(C)C(=O)c2oc3c(c2C)C(=O)CCC3)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is ZKAXBPGDMNBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11-9-21-14(12(2)18(11)25-5)10-22(4)20(24)19-13(3)17-15(23)7-6-8-16(17)26-19/h9H,6-8,10H2,1-5H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71881925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).