2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

C18H18N6O4 — CID 68532318

IUPAC2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccncn3)cc(=O)n2C)c(OC)n1
InChIInChI=1S/C18H18N6O4/c1-24-14(22-13(8-16(24)25)12-6-7-19-10-21-12)9-20-17(26)11-4-5-15(27-2)23-18(11)28-3/h4-8,10H,9H2,1-3H3,(H,20,26)
InChIKeyIHADECUMARHSHA-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.58
Rot. Bonds6

About 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 68532318) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID68532318
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccncn3)cc(=O)n2C)c(OC)n1
InChIInChI=1S/C18H18N6O4/c1-24-14(22-13(8-16(24)25)12-6-7-19-10-21-12)9-20-17(26)11-4-5-15(27-2)23-18(11)28-3/h4-8,10H,9H2,1-3H3,(H,20,26)
InChIKeyIHADECUMARHSHA-UHFFFAOYSA-N
XLogP0.58
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]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 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (CID 68532318) is 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCc2nc(-c3ccncn3)cc(=O)n2C)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IHADECUMARHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-24-14(22-13(8-16(24)25)12-6-7-19-10-21-12)9-20-17(26)11-4-5-15(27-2)23-18(11)28-3/h4-8,10H,9H2,1-3H3,(H,20,26).
What are the key properties of 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 68532318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).