N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide

C20H14F2N6O — CID 53371927

IUPACN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)ncn1
InChIInChI=1S/C20H14F2N6O/c1-11(29)26-18-9-19(25-10-24-18)27-16-8-17(14-7-12(21)4-5-15(14)22)28-20-13(16)3-2-6-23-20/h2-10H,1H3,(H2,23,24,25,26,27,28,29)
InChIKeyRFCWUZYEMUUHNO-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.07
Rot. Bonds4

About N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide

N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide (PubChem CID 53371927) has the molecular formula C20H14F2N6O and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide
PubChem CID53371927
Molecular FormulaC20H14F2N6O
Molecular Weight392.37 g/mol
Exact Mass392.12
IUPAC NameN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)ncn1
InChIInChI=1S/C20H14F2N6O/c1-11(29)26-18-9-19(25-10-24-18)27-16-8-17(14-7-12(21)4-5-15(14)22)28-20-13(16)3-2-6-23-20/h2-10H,1H3,(H2,23,24,25,26,27,28,29)
InChIKeyRFCWUZYEMUUHNO-UHFFFAOYSA-N
XLogP4.07
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide (CID 53371927) is N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)ncn1.
What is the InChIKey of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The InChIKey is RFCWUZYEMUUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O/c1-11(29)26-18-9-19(25-10-24-18)27-16-8-17(14-7-12(21)4-5-15(14)22)28-20-13(16)3-2-6-23-20/h2-10H,1H3,(H2,23,24,25,26,27,28,29).
What are the key properties of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide has a molecular weight of 392.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53371927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).