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

C17H16F2N6O2 — CID 175990830

IUPACN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2coc(C)n2)cn1
InChIInChI=1S/C17H16F2N6O2/c1-9(26)22-15-6-12(11(7-21-15)13-8-27-10(2)23-13)24-14-4-5-20-16(25-14)17(3,18)19/h4-8H,1-3H3,(H2,20,21,22,24,25,26)
InChIKeyCOMCJATYKNDXJB-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.65
Rot. Bonds5

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

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 175990830) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
PubChem CID175990830
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2coc(C)n2)cn1
InChIInChI=1S/C17H16F2N6O2/c1-9(26)22-15-6-12(11(7-21-15)13-8-27-10(2)23-13)24-14-4-5-20-16(25-14)17(3,18)19/h4-8H,1-3H3,(H2,20,21,22,24,25,26)
InChIKeyCOMCJATYKNDXJB-UHFFFAOYSA-N
XLogP3.65
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.65
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)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide (CID 175990830) is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-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)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2coc(C)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is COMCJATYKNDXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c1-9(26)22-15-6-12(11(7-21-15)13-8-27-10(2)23-13)24-14-4-5-20-16(25-14)17(3,18)19/h4-8H,1-3H3,(H2,20,21,22,24,25,26).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 374.35 g/mol, XLogP of 3.65, 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)pyrimidin-4-yl]amino]-5-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175990830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).