N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide

C18H16BrClN4O2 — CID 24681171

IUPACN-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C18H16BrClN4O2/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-13-8-18(26)24-9-12(20)6-7-16(24)21-13/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyXYZWBSHJLNHZFL-UHFFFAOYSA-N
MW435.71 g/mol
LogP3.18
Rot. Bonds5

About N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide

N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide (PubChem CID 24681171) has the molecular formula C18H16BrClN4O2 and a molecular weight of 435.71 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
PubChem CID24681171
Molecular FormulaC18H16BrClN4O2
Molecular Weight435.71 g/mol
Exact Mass434.01
IUPAC NameN-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C18H16BrClN4O2/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-13-8-18(26)24-9-12(20)6-7-16(24)21-13/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyXYZWBSHJLNHZFL-UHFFFAOYSA-N
XLogP3.18
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide
CID 24681199
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088872
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107203975
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 62638702
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
N-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-fluorophenyl]-2-phenylacetamide
CID 55917605
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8001790

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide (CID 24681171) is N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide?
The InChIKey is XYZWBSHJLNHZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O2/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-13-8-18(26)24-9-12(20)6-7-16(24)21-13/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide?
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide has a molecular weight of 435.71 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 24681171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).