N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

C18H23F2N5O2 — CID 170730400

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1cc(C(C)C)nc(C(C)(F)F)n1
InChIInChI=1S/C18H23F2N5O2/c1-6-27-14-9-21-15(22-11(4)26)8-13(14)23-16-7-12(10(2)3)24-17(25-16)18(5,19)20/h7-10H,6H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyJZPIWBJBEZJILX-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.21
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (PubChem CID 170730400) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
PubChem CID170730400
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1cc(C(C)C)nc(C(C)(F)F)n1
InChIInChI=1S/C18H23F2N5O2/c1-6-27-14-9-21-15(22-11(4)26)8-13(14)23-16-7-12(10(2)3)24-17(25-16)18(5,19)20/h7-10H,6H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyJZPIWBJBEZJILX-UHFFFAOYSA-N
XLogP4.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 170731337
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-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
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-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824
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-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170731033
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
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-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731313
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (CID 170730400) is N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is CCOc1cnc(NC(C)=O)cc1Nc1cc(C(C)C)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The InChIKey is JZPIWBJBEZJILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c1-6-27-14-9-21-15(22-11(4)26)8-13(14)23-16-7-12(10(2)3)24-17(25-16)18(5,19)20/h7-10H,6H2,1-5H3,(H2,21,22,23,24,25,26).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170730400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).