N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide

C18H19BrN4O3 — CID 155948116

IUPACN-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN4O3/c1-11(24)22-15(12-2-4-13(19)5-3-12)8-17(25)23-7-6-14-16(9-23)20-10-21-18(14)26/h2-5,10,15H,6-9H2,1H3,(H,22,24)(H,20,21,26)
InChIKeySRUFAUPRDHAGSJ-UHFFFAOYSA-N
MW419.28 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide

N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide (PubChem CID 155948116) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide
PubChem CID155948116
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC NameN-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN4O3/c1-11(24)22-15(12-2-4-13(19)5-3-12)8-17(25)23-7-6-14-16(9-23)20-10-21-18(14)26/h2-5,10,15H,6-9H2,1H3,(H,22,24)(H,20,21,26)
InChIKeySRUFAUPRDHAGSJ-UHFFFAOYSA-N
XLogP1.68
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
CID 119403227
N-[1-(4-bromophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]acetamide
CID 112772756
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
N-[(1S)-3-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 124611964
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
7-[2-(7-methyl-2-oxochromen-4-yl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 171915277
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 112800619
N-[1-(4-bromophenyl)-3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119398231
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide
CID 135065354

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide (CID 155948116) is N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide is CC(=O)NC(CC(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide?
The InChIKey is SRUFAUPRDHAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-11(24)22-15(12-2-4-13(19)5-3-12)8-17(25)23-7-6-14-16(9-23)20-10-21-18(14)26/h2-5,10,15H,6-9H2,1H3,(H,22,24)(H,20,21,26).
What are the key properties of N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide?
N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide has a molecular weight of 419.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide is sourced from PubChem (CID 155948116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).