N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide

C20H17FN4O3 — CID 86760390

IUPACN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
SMILESCN(C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H17FN4O3/c1-25(17-5-3-2-4-6-17)18(26)13-28-20-22-11-14(12-23-20)19(27)24-16-9-7-15(21)8-10-16/h2-12H,13H2,1H3,(H,24,27)
InChIKeyNHNUPKSDHYTABR-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.91
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide (PubChem CID 86760390) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
PubChem CID86760390
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
SMILESCN(C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H17FN4O3/c1-25(17-5-3-2-4-6-17)18(26)13-28-20-22-11-14(12-23-20)19(27)24-16-9-7-15(21)8-10-16/h2-12H,13H2,1H3,(H,24,27)
InChIKeyNHNUPKSDHYTABR-UHFFFAOYSA-N
XLogP2.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide (CID 86760390) is N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide is CN(C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide?
The InChIKey is NHNUPKSDHYTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-25(17-5-3-2-4-6-17)18(26)13-28-20-22-11-14(12-23-20)19(27)24-16-9-7-15(21)8-10-16/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 86760390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).