N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide

C19H20F2N6O2 — CID 170731330

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2coc(C)n2)nc(C(C)(F)F)n1
InChIInChI=1S/C19H20F2N6O2/c1-5-12-6-17(27-18(25-12)19(4,20)21)26-14-7-16(23-10(2)28)22-8-13(14)15-9-29-11(3)24-15/h6-9H,5H2,1-4H3,(H2,22,23,25,26,27,28)
InChIKeyUSEPYXWVHXAREV-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.21
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 170731330) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
PubChem CID170731330
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2coc(C)n2)nc(C(C)(F)F)n1
InChIInChI=1S/C19H20F2N6O2/c1-5-12-6-17(27-18(25-12)19(4,20)21)26-14-7-16(23-10(2)28)22-8-13(14)15-9-29-11(3)24-15/h6-9H,5H2,1-4H3,(H2,22,23,25,26,27,28)
InChIKeyUSEPYXWVHXAREV-UHFFFAOYSA-N
XLogP4.21
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide (CID 170731330) is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide is CCc1cc(Nc2cc(NC(C)=O)ncc2-c2coc(C)n2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is USEPYXWVHXAREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-5-12-6-17(27-18(25-12)19(4,20)21)26-14-7-16(23-10(2)28)22-8-13(14)15-9-29-11(3)24-15/h6-9H,5H2,1-4H3,(H2,22,23,25,26,27,28).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 402.41 g/mol, XLogP of 4.21, 6 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-ethylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170731330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).