2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide

C16H12BrClN4O2 — CID 139979668

IUPAC2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2cnc(Br)nc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClN4O2/c17-16-21-8-12-14(22-16)15(24)10(7-19-12)5-13(23)20-6-9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2,(H,19,24)(H,20,23)
InChIKeyMHCWTTHJHQIRSI-UHFFFAOYSA-N
MW407.66 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 139979668) has the molecular formula C16H12BrClN4O2 and a molecular weight of 407.66 g/mol. Its IUPAC name is 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID139979668
Molecular FormulaC16H12BrClN4O2
Molecular Weight407.66 g/mol
Exact Mass405.98
IUPAC Name2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2cnc(Br)nc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClN4O2/c17-16-21-8-12-14(22-16)15(24)10(7-19-12)5-13(23)20-6-9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2,(H,19,24)(H,20,23)
InChIKeyMHCWTTHJHQIRSI-UHFFFAOYSA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
2-bromo-7-(hydroxymethyl)-5H-pyrido[3,2-d]pyrimidin-8-one
CID 135394367
N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide
CID 139979666
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
CID 139979679
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 139979668) is 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide is O=C(Cc1c[nH]c2cnc(Br)nc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is MHCWTTHJHQIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O2/c17-16-21-8-12-14(22-16)15(24)10(7-19-12)5-13(23)20-6-9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2,(H,19,24)(H,20,23).
What are the key properties of 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 407.66 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 139979668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).