N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide

C20H24F3N5O3 — CID 175990969

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@@]2(F)CCCOC2)cn1
InChIInChI=1S/C20H24F3N5O3/c1-12-7-17(28-18(25-12)19(3,21)22)27-14-8-16(26-13(2)29)24-9-15(14)31-11-20(23)5-4-6-30-10-20/h7-9H,4-6,10-11H2,1-3H3,(H2,24,25,26,27,28,29)/t20-/m1/s1
InChIKeyQWPWUXOOWUJGFL-HXUWFJFHSA-N
MW439.44 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide (PubChem CID 175990969) has the molecular formula C20H24F3N5O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide
PubChem CID175990969
Molecular FormulaC20H24F3N5O3
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@@]2(F)CCCOC2)cn1
InChIInChI=1S/C20H24F3N5O3/c1-12-7-17(28-18(25-12)19(3,21)22)27-14-8-16(26-13(2)29)24-9-15(14)31-11-20(23)5-4-6-30-10-20/h7-9H,4-6,10-11H2,1-3H3,(H2,24,25,26,27,28,29)/t20-/m1/s1
InChIKeyQWPWUXOOWUJGFL-HXUWFJFHSA-N
XLogP3.89
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]acetamide
CID 175990718
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
CID 175990770
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(3-methyl-1,2-thiazol-4-yl)methoxy]-2-pyridinyl]acetamide
CID 175990823
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731313
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(oxolan-2-yl)-2-pyridinyl]acetamide
CID 175990768
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170730400

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide (CID 175990969) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@@]2(F)CCCOC2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide?
The InChIKey is QWPWUXOOWUJGFL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24F3N5O3/c1-12-7-17(28-18(25-12)19(3,21)22)27-14-8-16(26-13(2)29)24-9-15(14)31-11-20(23)5-4-6-30-10-20/h7-9H,4-6,10-11H2,1-3H3,(H2,24,25,26,27,28,29)/t20-/m1/s1.
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide has a molecular weight of 439.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).