2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide

C21H25FN6O4 — CID 71744961

IUPAC2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCc1nc(N)nc2c1cc(OC1C=CNC=C1F)c(=O)n2C1CCC(OCC(N)=O)CC1
InChIInChI=1S/C21H25FN6O4/c1-11-14-8-17(32-16-6-7-25-9-15(16)22)20(30)28(19(14)27-21(24)26-11)12-2-4-13(5-3-12)31-10-18(23)29/h6-9,12-13,16,25H,2-5,10H2,1H3,(H2,23,29)(H2,24,26,27)
InChIKeyXQQLJXNQHHVZDC-UHFFFAOYSA-N
MW444.47 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide

2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (PubChem CID 71744961) has the molecular formula C21H25FN6O4 and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide.

Molecular Properties

Compound Name2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
PubChem CID71744961
Molecular FormulaC21H25FN6O4
Molecular Weight444.47 g/mol
Exact Mass444.19
IUPAC Name2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCc1nc(N)nc2c1cc(OC1C=CNC=C1F)c(=O)n2C1CCC(OCC(N)=O)CC1
InChIInChI=1S/C21H25FN6O4/c1-11-14-8-17(32-16-6-7-25-9-15(16)22)20(30)28(19(14)27-21(24)26-11)12-2-4-13(5-3-12)31-10-18(23)29/h6-9,12-13,16,25H,2-5,10H2,1H3,(H2,23,29)(H2,24,26,27)
InChIKeyXQQLJXNQHHVZDC-UHFFFAOYSA-N
XLogP1.34
TPSA147.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The IUPAC name of 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (CID 71744961) is 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide.
What is the SMILES notation for 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The canonical SMILES for 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is Cc1nc(N)nc2c1cc(OC1C=CNC=C1F)c(=O)n2C1CCC(OCC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The InChIKey is XQQLJXNQHHVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O4/c1-11-14-8-17(32-16-6-7-25-9-15(16)22)20(30)28(19(14)27-21(24)26-11)12-2-4-13(5-3-12)31-10-18(23)29/h6-9,12-13,16,25H,2-5,10H2,1H3,(H2,23,29)(H2,24,26,27).
What are the key properties of 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide has a molecular weight of 444.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-[(3-fluoro-1,4-dihydropyridin-4-yl)oxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is sourced from PubChem (CID 71744961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).