2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

C23H27FN6O — CID 90016341

IUPAC2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C23H27FN6O/c1-29(2)21(31)11-15-5-7-30(8-6-15)13-16-9-17(12-18(24)10-16)19-3-4-20-22(28-19)23(25)27-14-26-20/h3-4,9-10,12,14-15H,5-8,11,13H2,1-2H3,(H2,25,26,27)
InChIKeyNEXWWAOYCIDRCZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 90016341) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID90016341
Molecular FormulaC23H27FN6O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C23H27FN6O/c1-29(2)21(31)11-15-5-7-30(8-6-15)13-16-9-17(12-18(24)10-16)19-3-4-20-22(28-19)23(25)27-14-26-20/h3-4,9-10,12,14-15H,5-8,11,13H2,1-2H3,(H2,25,26,27)
InChIKeyNEXWWAOYCIDRCZ-UHFFFAOYSA-N
XLogP3.10
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (CID 90016341) is 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1.
What is the InChIKey of 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is NEXWWAOYCIDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-29(2)21(31)11-15-5-7-30(8-6-15)13-16-9-17(12-18(24)10-16)19-3-4-20-22(28-19)23(25)27-14-26-20/h3-4,9-10,12,14-15H,5-8,11,13H2,1-2H3,(H2,25,26,27).
What are the key properties of 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 422.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90016341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).