3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide

C20H24FN5O2 — CID 174053621

IUPAC3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cc(F)cc(CCNC(C)=O)c2)nc1C1CC1
InChIInChI=1S/C20H24FN5O2/c1-3-16-17(13-4-5-13)26-20(18(25-16)19(22)28)24-15-9-12(8-14(21)10-15)6-7-23-11(2)27/h8-10,13H,3-7H2,1-2H3,(H2,22,28)(H,23,27)(H,24,26)
InChIKeyNBUAZHFUOANZTP-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.58
Rot. Bonds8

About 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide

3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide (PubChem CID 174053621) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide
PubChem CID174053621
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cc(F)cc(CCNC(C)=O)c2)nc1C1CC1
InChIInChI=1S/C20H24FN5O2/c1-3-16-17(13-4-5-13)26-20(18(25-16)19(22)28)24-15-9-12(8-14(21)10-15)6-7-23-11(2)27/h8-10,13H,3-7H2,1-2H3,(H2,22,28)(H,23,27)(H,24,26)
InChIKeyNBUAZHFUOANZTP-UHFFFAOYSA-N
XLogP2.58
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide?
The IUPAC name of 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide (CID 174053621) is 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cc(F)cc(CCNC(C)=O)c2)nc1C1CC1.
What is the InChIKey of 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide?
The InChIKey is NBUAZHFUOANZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-3-16-17(13-4-5-13)26-20(18(25-16)19(22)28)24-15-9-12(8-14(21)10-15)6-7-23-11(2)27/h8-10,13H,3-7H2,1-2H3,(H2,22,28)(H,23,27)(H,24,26).
What are the key properties of 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide?
3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 174053621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).