N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide

C14H15N3O2 — CID 122301767

IUPACN-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-3-19-14-15-8-12(9-16-14)17-13(18)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyCJYQYKRKQKYGAG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.44
Rot. Bonds4

About N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide

N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide (PubChem CID 122301767) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
PubChem CID122301767
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-3-19-14-15-8-12(9-16-14)17-13(18)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyCJYQYKRKQKYGAG-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
CID 122301792
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-methylbenzamide
CID 42809983
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301975
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757
4-bromo-N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1027010
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide (CID 122301767) is N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide is CCOc1ncc(NC(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide?
The InChIKey is CJYQYKRKQKYGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-19-14-15-8-12(9-16-14)17-13(18)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide?
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide is sourced from PubChem (CID 122301767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).