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

C14H15F2N5O2 — CID 170730816

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(O)cn1
InChIInChI=1S/C14H15F2N5O2/c1-7-4-12(21-13(18-7)14(3,15)16)20-9-5-11(19-8(2)22)17-6-10(9)23/h4-6,23H,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyBQBDSDWSAMFXOA-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.70
Rot. Bonds4

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide (PubChem CID 170730816) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide
PubChem CID170730816
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(O)cn1
InChIInChI=1S/C14H15F2N5O2/c1-7-4-12(21-13(18-7)14(3,15)16)20-9-5-11(19-8(2)22)17-6-10(9)23/h4-6,23H,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyBQBDSDWSAMFXOA-UHFFFAOYSA-N
XLogP2.70
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-hydroxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide (CID 170730816) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(O)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide?
The InChIKey is BQBDSDWSAMFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2/c1-7-4-12(21-13(18-7)14(3,15)16)20-9-5-11(19-8(2)22)17-6-10(9)23/h4-6,23H,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide has a molecular weight of 323.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-hydroxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170730816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).