4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C18H20N6O3 — CID 126444191

IUPAC4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)nc(OC)n1
InChIInChI=1S/C18H20N6O3/c1-11(16-19-10-20-24(16)2)21-17(25)13-7-5-12(6-8-13)14-9-15(26-3)23-18(22-14)27-4/h5-11H,1-4H3,(H,21,25)/t11-/m0/s1
InChIKeyPDVRWCGPGQHCHU-NSHDSACASA-N
MW368.40 g/mol
LogP1.78
Rot. Bonds6

About 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 126444191) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID126444191
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)nc(OC)n1
InChIInChI=1S/C18H20N6O3/c1-11(16-19-10-20-24(16)2)21-17(25)13-7-5-12(6-8-13)14-9-15(26-3)23-18(22-14)27-4/h5-11H,1-4H3,(H,21,25)/t11-/m0/s1
InChIKeyPDVRWCGPGQHCHU-NSHDSACASA-N
XLogP1.78
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide with MolForge

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Related Compounds

6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 124755292
3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 129478499
3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 124749289
3-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 121496657
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 118795480
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 122557982
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169412556
4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 129478238

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 126444191) is 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is COc1cc(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)nc(OC)n1.
What is the InChIKey of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is PDVRWCGPGQHCHU-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11(16-19-10-20-24(16)2)21-17(25)13-7-5-12(6-8-13)14-9-15(26-3)23-18(22-14)27-4/h5-11H,1-4H3,(H,21,25)/t11-/m0/s1.
What are the key properties of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 368.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 126444191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).