N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

C18H17F3N4O2 — CID 171496957

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1c(F)cnc2c1CN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)C(=O)N2
InChIInChI=1S/C18H17F3N4O2/c1-9-13-7-25(18(27)24-17(13)22-6-15(9)21)8-16(26)23-10(2)12-4-3-11(19)5-14(12)20/h3-6,10H,7-8H2,1-2H3,(H,23,26)(H,22,24,27)/t10-/m0/s1
InChIKeyMAUFJVZBWHJKID-JTQLQIEISA-N
MW378.35 g/mol
LogP3.03
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 171496957) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID171496957
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1c(F)cnc2c1CN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)C(=O)N2
InChIInChI=1S/C18H17F3N4O2/c1-9-13-7-25(18(27)24-17(13)22-6-15(9)21)8-16(26)23-10(2)12-4-3-11(19)5-14(12)20/h3-6,10H,7-8H2,1-2H3,(H,23,26)(H,22,24,27)/t10-/m0/s1
InChIKeyMAUFJVZBWHJKID-JTQLQIEISA-N
XLogP3.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171497120
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171497675
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
CID 171497640
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-ethoxy-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171496972
2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 176748887
N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497300
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 171496880
N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496897
N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497028
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 171496957) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is Cc1c(F)cnc2c1CN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)C(=O)N2.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is MAUFJVZBWHJKID-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9-13-7-25(18(27)24-17(13)22-6-15(9)21)8-16(26)23-10(2)12-4-3-11(19)5-14(12)20/h3-6,10H,7-8H2,1-2H3,(H,23,26)(H,22,24,27)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 378.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 171496957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).