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

C18H18F2N6O2 — CID 170731115

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cnc(C)o2)cn1
InChIInChI=1S/C18H18F2N6O2/c1-9-5-16(26-17(23-9)18(4,19)20)25-13-6-15(24-10(2)27)22-7-12(13)14-8-21-11(3)28-14/h5-8H,1-4H3,(H2,22,23,24,25,26,27)
InChIKeyGHDVFACAFDXRER-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.96
Rot. Bonds5

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide (PubChem CID 170731115) has the molecular formula C18H18F2N6O2 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide
PubChem CID170731115
Molecular FormulaC18H18F2N6O2
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cnc(C)o2)cn1
InChIInChI=1S/C18H18F2N6O2/c1-9-5-16(26-17(23-9)18(4,19)20)25-13-6-15(24-10(2)27)22-7-12(13)14-8-21-11(3)28-14/h5-8H,1-4H3,(H2,22,23,24,25,26,27)
InChIKeyGHDVFACAFDXRER-UHFFFAOYSA-N
XLogP3.96
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.96
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-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide (CID 170731115) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cnc(C)o2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide?
The InChIKey is GHDVFACAFDXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2/c1-9-5-16(26-17(23-9)18(4,19)20)25-13-6-15(24-10(2)27)22-7-12(13)14-8-21-11(3)28-14/h5-8H,1-4H3,(H2,22,23,24,25,26,27).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide has a molecular weight of 388.38 g/mol, XLogP of 3.96, 5 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-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170731115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).