N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

C19H17FN4O2 — CID 59509065

IUPACN-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-5-14(20)9-15(17)16-10-18(23-12-22-16)24-19(25)8-13-4-3-7-21-11-13/h3-7,9-12H,2,8H2,1H3,(H,22,23,24,25)
InChIKeyPSPMMWFJPHFWNF-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.26
Rot. Bonds6

About N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 59509065) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID59509065
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-5-14(20)9-15(17)16-10-18(23-12-22-16)24-19(25)8-13-4-3-7-21-11-13/h3-7,9-12H,2,8H2,1H3,(H,22,23,24,25)
InChIKeyPSPMMWFJPHFWNF-UHFFFAOYSA-N
XLogP3.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 59285990
N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
CID 75387696
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 56782083
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
CID 163664210

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (CID 59509065) is N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is CCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1.
What is the InChIKey of N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is PSPMMWFJPHFWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-26-17-6-5-14(20)9-15(17)16-10-18(23-12-22-16)24-19(25)8-13-4-3-7-21-11-13/h3-7,9-12H,2,8H2,1H3,(H,22,23,24,25).
What are the key properties of N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 352.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59509065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).