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

C20H20F2N6O2 — CID 170731313

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2cccnc2)cn1
InChIInChI=1S/C20H20F2N6O2/c1-12-7-18(28-19(25-12)20(3,21)22)27-15-8-17(26-13(2)29)24-10-16(15)30-11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyXZXNESKWFCZFRN-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.97
Rot. Bonds7

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide (PubChem CID 170731313) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
PubChem CID170731313
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2cccnc2)cn1
InChIInChI=1S/C20H20F2N6O2/c1-12-7-18(28-19(25-12)20(3,21)22)27-15-8-17(26-13(2)29)24-10-16(15)30-11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyXZXNESKWFCZFRN-UHFFFAOYSA-N
XLogP3.97
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
CID 175990770
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide
CID 175990969
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(2-fluoro-3-pyridinyl)ethoxy]-2-pyridinyl]pentanamide
CID 170730476
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 170730784
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 175990779
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(oxolan-2-yl)-2-pyridinyl]acetamide
CID 175990768
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide (CID 170731313) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2cccnc2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide?
The InChIKey is XZXNESKWFCZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-12-7-18(28-19(25-12)20(3,21)22)27-15-8-17(26-13(2)29)24-10-16(15)30-11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 3.97, 7 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-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 170731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).