N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide

C22H17F2N5O3 — CID 53062935

IUPACN-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2nccnc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2N5O3/c23-16-7-6-15(12-17(16)24)27-18(30)13-29-20-19(25-9-10-26-20)21(31)28(22(29)32)11-8-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11,13H2,(H,27,30)
InChIKeyAYEKIEMTWXNDEH-UHFFFAOYSA-N
MW437.41 g/mol
LogP2.11
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide (PubChem CID 53062935) has the molecular formula C22H17F2N5O3 and a molecular weight of 437.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
PubChem CID53062935
Molecular FormulaC22H17F2N5O3
Molecular Weight437.41 g/mol
Exact Mass437.13
IUPAC NameN-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2nccnc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2N5O3/c23-16-7-6-15(12-17(16)24)27-18(30)13-29-20-19(25-9-10-26-20)21(31)28(22(29)32)11-8-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11,13H2,(H,27,30)
InChIKeyAYEKIEMTWXNDEH-UHFFFAOYSA-N
XLogP2.11
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062947
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53062944
N-(3,4-difluorophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062899
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486468
N-cyclopentyl-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062959
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062932
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240709
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505529
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide (CID 53062935) is N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2nccnc21)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The InChIKey is AYEKIEMTWXNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O3/c23-16-7-6-15(12-17(16)24)27-18(30)13-29-20-19(25-9-10-26-20)21(31)28(22(29)32)11-8-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11,13H2,(H,27,30).
What are the key properties of N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide has a molecular weight of 437.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide is sourced from PubChem (CID 53062935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).