N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C24H24F2N6O3 — CID 170730327

IUPACN-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C34CC(CO3)C4)n2)c(-c2ccc(COC(F)F)cn2)cn1
InChIInChI=1S/C24H24F2N6O3/c1-13-5-21(32-22(29-13)24-7-16(8-24)12-35-24)31-19-6-20(30-14(2)33)28-10-17(19)18-4-3-15(9-27-18)11-34-23(25)26/h3-6,9-10,16,23H,7-8,11-12H2,1-2H3,(H2,28,29,30,31,32,33)
InChIKeyFWEQHSHKJWZGBP-UHFFFAOYSA-N
MW482.49 g/mol
LogP4.32
Rot. Bonds8

About N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 170730327) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID170730327
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC NameN-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C34CC(CO3)C4)n2)c(-c2ccc(COC(F)F)cn2)cn1
InChIInChI=1S/C24H24F2N6O3/c1-13-5-21(32-22(29-13)24-7-16(8-24)12-35-24)31-19-6-20(30-14(2)33)28-10-17(19)18-4-3-15(9-27-18)11-34-23(25)26/h3-6,9-10,16,23H,7-8,11-12H2,1-2H3,(H2,28,29,30,31,32,33)
InChIKeyFWEQHSHKJWZGBP-UHFFFAOYSA-N
XLogP4.32
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 170730327) is N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C34CC(CO3)C4)n2)c(-c2ccc(COC(F)F)cn2)cn1.
What is the InChIKey of N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is FWEQHSHKJWZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-13-5-21(32-22(29-13)24-7-16(8-24)12-35-24)31-19-6-20(30-14(2)33)28-10-17(19)18-4-3-15(9-27-18)11-34-23(25)26/h3-6,9-10,16,23H,7-8,11-12H2,1-2H3,(H2,28,29,30,31,32,33).
What are the key properties of N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 482.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-1-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).