N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

C24H26N6O6 — CID 54712024

IUPACN-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(C3CCCN3C(=O)c3cccnn3)n(C)c(=O)c2O)c1OC
InChIInChI=1S/C24H26N6O6/c1-29-21(16-9-6-12-30(16)23(33)15-8-5-11-26-28-15)27-18(19(31)24(29)34)22(32)25-13-14-7-4-10-17(35-2)20(14)36-3/h4-5,7-8,10-11,16,31H,6,9,12-13H2,1-3H3,(H,25,32)
InChIKeyBIAXQJCWGFBAQS-UHFFFAOYSA-N
MW494.51 g/mol
LogP1.20
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 54712024) has the molecular formula C24H26N6O6 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID54712024
Molecular FormulaC24H26N6O6
Molecular Weight494.51 g/mol
Exact Mass494.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(C3CCCN3C(=O)c3cccnn3)n(C)c(=O)c2O)c1OC
InChIInChI=1S/C24H26N6O6/c1-29-21(16-9-6-12-30(16)23(33)15-8-5-11-26-28-15)27-18(19(31)24(29)34)22(32)25-13-14-7-4-10-17(35-2)20(14)36-3/h4-5,7-8,10-11,16,31H,6,9,12-13H2,1-3H3,(H,25,32)
InChIKeyBIAXQJCWGFBAQS-UHFFFAOYSA-N
XLogP1.20
TPSA148.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-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-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 54712024) is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2nc(C3CCCN3C(=O)c3cccnn3)n(C)c(=O)c2O)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is BIAXQJCWGFBAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O6/c1-29-21(16-9-6-12-30(16)23(33)15-8-5-11-26-28-15)27-18(19(31)24(29)34)22(32)25-13-14-7-4-10-17(35-2)20(14)36-3/h4-5,7-8,10-11,16,31H,6,9,12-13H2,1-3H3,(H,25,32).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 494.51 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridazine-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 54712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).