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

C17H15BrF2N4O2 — CID 171496880

IUPAC2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1Cc2nc(Br)ccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15BrF2N4O2/c1-9(11-3-2-10(19)6-12(11)20)21-16(25)8-24-7-14-13(23-17(24)26)4-5-15(18)22-14/h2-6,9H,7-8H2,1H3,(H,21,25)(H,23,26)/t9-/m0/s1
InChIKeyZHAOIPKJANDPQC-VIFPVBQESA-N
MW425.23 g/mol
LogP3.35
Rot. Bonds4

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

2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 171496880) has the molecular formula C17H15BrF2N4O2 and a molecular weight of 425.23 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID171496880
Molecular FormulaC17H15BrF2N4O2
Molecular Weight425.23 g/mol
Exact Mass424.03
IUPAC Name2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1Cc2nc(Br)ccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15BrF2N4O2/c1-9(11-3-2-10(19)6-12(11)20)21-16(25)8-24-7-14-13(23-17(24)26)4-5-15(18)22-14/h2-6,9H,7-8H2,1H3,(H,21,25)(H,23,26)/t9-/m0/s1
InChIKeyZHAOIPKJANDPQC-VIFPVBQESA-N
XLogP3.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
CID 171497640
2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 176748887
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
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-(5-fluoro-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171497675
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
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-ethoxy-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171496972
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-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497028
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide;molecular hydrogen
CID 171496946
(2S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-3-phenylpropanamide
CID 171496953
2-(7-chloro-5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]acetamide
CID 176748858

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 171496880) is 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN1Cc2nc(Br)ccc2NC1=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is ZHAOIPKJANDPQC-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15BrF2N4O2/c1-9(11-3-2-10(19)6-12(11)20)21-16(25)8-24-7-14-13(23-17(24)26)4-5-15(18)22-14/h2-6,9H,7-8H2,1H3,(H,21,25)(H,23,26)/t9-/m0/s1.
What are the key properties of 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 425.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 171496880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).