6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide

C25H30N6O5 — CID 156880829

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cccc(COCCOC)c1OC
InChIInChI=1S/C25H30N6O5/c1-15-11-22(29-16(2)28-15)31-21-12-20(19(13-27-21)24(32)26-3)30-25(33)18-8-6-7-17(23(18)35-5)14-36-10-9-34-4/h6-8,11-13H,9-10,14H2,1-5H3,(H,26,32)(H2,27,28,29,30,31,33)
InChIKeyRWVOZBWBHHAUBI-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.02
Rot. Bonds11

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 156880829) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID156880829
Molecular FormulaC25H30N6O5
Molecular Weight494.55 g/mol
Exact Mass494.23
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cccc(COCCOC)c1OC
InChIInChI=1S/C25H30N6O5/c1-15-11-22(29-16(2)28-15)31-21-12-20(19(13-27-21)24(32)26-3)30-25(33)18-8-6-7-17(23(18)35-5)14-36-10-9-34-4/h6-8,11-13H,9-10,14H2,1-5H3,(H,26,32)(H2,27,28,29,30,31,33)
InChIKeyRWVOZBWBHHAUBI-UHFFFAOYSA-N
XLogP3.02
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880977
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide
CID 156880932
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 156880875
4-[(2-fluoro-6-methoxybenzoyl)amino]-6-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 156880816
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 175861594
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 90153827
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 156880958

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide (CID 156880829) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1cccc(COCCOC)c1OC.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is RWVOZBWBHHAUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-15-11-22(29-16(2)28-15)31-21-12-20(19(13-27-21)24(32)26-3)30-25(33)18-8-6-7-17(23(18)35-5)14-36-10-9-34-4/h6-8,11-13H,9-10,14H2,1-5H3,(H,26,32)(H2,27,28,29,30,31,33).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.02, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156880829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).