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

C17H16F2N6O2 — CID 170730860

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cocn2)cn1
InChIInChI=1S/C17H16F2N6O2/c1-9-4-15(25-16(22-9)17(3,18)19)24-12-5-14(23-10(2)26)20-6-11(12)13-7-27-8-21-13/h4-8H,1-3H3,(H2,20,22,23,24,25,26)
InChIKeyCIOWFFNDEBRMSS-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.65
Rot. Bonds5

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 170730860) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide
PubChem CID170730860
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cocn2)cn1
InChIInChI=1S/C17H16F2N6O2/c1-9-4-15(25-16(22-9)17(3,18)19)24-12-5-14(23-10(2)26)20-6-11(12)13-7-27-8-21-13/h4-8H,1-3H3,(H2,20,22,23,24,25,26)
InChIKeyCIOWFFNDEBRMSS-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)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide (CID 170730860) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cocn2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is CIOWFFNDEBRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c1-9-4-15(25-16(22-9)17(3,18)19)24-12-5-14(23-10(2)26)20-6-11(12)13-7-27-8-21-13/h4-8H,1-3H3,(H2,20,22,23,24,25,26).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(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)-6-methylpyrimidin-4-yl]amino]-5-(1,3-oxazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).