6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H22N4O3 — CID 133345531

IUPAC6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1
InChIInChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJJDLDJILSXJGRC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds7

About 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 133345531) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID133345531
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1
InChIInChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJJDLDJILSXJGRC-UHFFFAOYSA-N
XLogP1.38
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-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 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 133345531) is 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1.
What is the InChIKey of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JJDLDJILSXJGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 133345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).