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

C24H26F2N6O2 — CID 170730370

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc(C3CCCCO3)n2)cn1
InChIInChI=1S/C24H26F2N6O2/c1-14-11-22(32-23(28-14)24(3,25)26)31-19-12-21(29-15(2)33)27-13-16(19)17-7-6-8-18(30-17)20-9-4-5-10-34-20/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H2,27,28,29,31,32,33)
InChIKeyFFMJBZYCYQMFBP-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.30
Rot. Bonds6

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 170730370) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID170730370
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc(C3CCCCO3)n2)cn1
InChIInChI=1S/C24H26F2N6O2/c1-14-11-22(32-23(28-14)24(3,25)26)31-19-12-21(29-15(2)33)27-13-16(19)17-7-6-8-18(30-17)20-9-4-5-10-34-20/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H2,27,28,29,31,32,33)
InChIKeyFFMJBZYCYQMFBP-UHFFFAOYSA-N
XLogP5.30
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

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N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-2-(pyridin-3-yl)acetamide
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N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)pyridine-4-carboxamide
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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-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide (CID 170730370) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc(C3CCCCO3)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is FFMJBZYCYQMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-14-11-22(32-23(28-14)24(3,25)26)31-19-12-21(29-15(2)33)27-13-16(19)17-7-6-8-18(30-17)20-9-4-5-10-34-20/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H2,27,28,29,31,32,33).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 468.51 g/mol, XLogP of 5.30, 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-methylpyrimidin-4-yl]amino]-5-[6-(oxan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).