5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

C19H24FN5O2 — CID 171483367

IUPAC5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1
InChIInChI=1S/C19H24FN5O2/c1-12(2)25-11-14(4-5-17(25)27)18-16(20)10-21-19(23-18)22-15-6-8-24(9-7-15)13(3)26/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22,23)
InChIKeyIWDPGNAVSWUMPX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.45
Rot. Bonds4

About 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 171483367) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID171483367
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1
InChIInChI=1S/C19H24FN5O2/c1-12(2)25-11-14(4-5-17(25)27)18-16(20)10-21-19(23-18)22-15-6-8-24(9-7-15)13(3)26/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22,23)
InChIKeyIWDPGNAVSWUMPX-UHFFFAOYSA-N
XLogP2.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 171483367) is 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CC(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1.
What is the InChIKey of 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is IWDPGNAVSWUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-12(2)25-11-14(4-5-17(25)27)18-16(20)10-21-19(23-18)22-15-6-8-24(9-7-15)13(3)26/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22,23).
What are the key properties of 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 373.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171483367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).