3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C19H21N5O3 — CID 169412556

IUPAC3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)Nc3c(C)nn(C)c3C)c2)nc(OC)n1
InChIInChI=1S/C19H21N5O3/c1-11-17(12(2)24(3)23-11)22-18(25)14-8-6-7-13(9-14)15-10-16(26-4)21-19(20-15)27-5/h6-10H,1-5H3,(H,22,25)
InChIKeyNBKXSWXZZQVGKS-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.76
Rot. Bonds5

About 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 169412556) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID169412556
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)Nc3c(C)nn(C)c3C)c2)nc(OC)n1
InChIInChI=1S/C19H21N5O3/c1-11-17(12(2)24(3)23-11)22-18(25)14-8-6-7-13(9-14)15-10-16(26-4)21-19(20-15)27-5/h6-10H,1-5H3,(H,22,25)
InChIKeyNBKXSWXZZQVGKS-UHFFFAOYSA-N
XLogP2.76
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 169411913
3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 38105280
3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169414815
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 113343278
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
3-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393502
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 90786427
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
3-[(3-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393406

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 169412556) is 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is COc1cc(-c2cccc(C(=O)Nc3c(C)nn(C)c3C)c2)nc(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is NBKXSWXZZQVGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-17(12(2)24(3)23-11)22-18(25)14-8-6-7-13(9-14)15-10-16(26-4)21-19(20-15)27-5/h6-10H,1-5H3,(H,22,25).
What are the key properties of 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 169412556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).