N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C24H25FN6O2 — CID 110240113

IUPACN-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C24H25FN6O2/c1-16(32)27-14-23(33)31-10-4-6-18(15-31)24-29-21(17-5-3-9-26-13-17)12-22(30-24)28-20-8-2-7-19(25)11-20/h2-3,5,7-9,11-13,18H,4,6,10,14-15H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyKFYDKNQQFIKHGS-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.26
Rot. Bonds6

About N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110240113) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110240113
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C24H25FN6O2/c1-16(32)27-14-23(33)31-10-4-6-18(15-31)24-29-21(17-5-3-9-26-13-17)12-22(30-24)28-20-8-2-7-19(25)11-20/h2-3,5,7-9,11-13,18H,4,6,10,14-15H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyKFYDKNQQFIKHGS-UHFFFAOYSA-N
XLogP3.26
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 110240113) is N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1.
What is the InChIKey of N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is KFYDKNQQFIKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-16(32)27-14-23(33)31-10-4-6-18(15-31)24-29-21(17-5-3-9-26-13-17)12-22(30-24)28-20-8-2-7-19(25)11-20/h2-3,5,7-9,11-13,18H,4,6,10,14-15H2,1H3,(H,27,32)(H,28,29,30).
What are the key properties of N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110240113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).