N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C19H24N2O4 — CID 95850124

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H24N2O4/c1-6-15-12(2)9-14(18(22)20-15)19(23)21(3)11-13-7-8-16(24-4)17(10-13)25-5/h7-10H,6,11H2,1-5H3,(H,20,22)
InChIKeyMNJXWXHKJGUWQC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.54
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95850124) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95850124
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H24N2O4/c1-6-15-12(2)9-14(18(22)20-15)19(23)21(3)11-13-7-8-16(24-4)17(10-13)25-5/h7-10H,6,11H2,1-5H3,(H,20,22)
InChIKeyMNJXWXHKJGUWQC-UHFFFAOYSA-N
XLogP2.54
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 95850124) is N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MNJXWXHKJGUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-15-12(2)9-14(18(22)20-15)19(23)21(3)11-13-7-8-16(24-4)17(10-13)25-5/h7-10H,6,11H2,1-5H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95850124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).