N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

C23H23F2N5O3 — CID 170731028

IUPACN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1
InChIInChI=1S/C23H23F2N5O3/c1-13(31)27-20-10-16(28-19-7-5-6-18(30-19)23(4,24)25)14(11-26-20)15-8-9-17-21(29-15)32-12-22(2,3)33-17/h5-11H,12H2,1-4H3,(H2,26,27,28,30,31)
InChIKeyHNDWSFMNHQGWGL-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.90
Rot. Bonds5

About N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (PubChem CID 170731028) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
PubChem CID170731028
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC NameN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1
InChIInChI=1S/C23H23F2N5O3/c1-13(31)27-20-10-16(28-19-7-5-6-18(30-19)23(4,24)25)14(11-26-20)15-8-9-17-21(29-15)32-12-22(2,3)33-17/h5-11H,12H2,1-4H3,(H2,26,27,28,30,31)
InChIKeyHNDWSFMNHQGWGL-UHFFFAOYSA-N
XLogP4.90
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (CID 170731028) is N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1.
What is the InChIKey of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is HNDWSFMNHQGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-13(31)27-20-10-16(28-19-7-5-6-18(30-19)23(4,24)25)14(11-26-20)15-8-9-17-21(29-15)32-12-22(2,3)33-17/h5-11H,12H2,1-4H3,(H2,26,27,28,30,31).
What are the key properties of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170731028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).