N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide

C23H28N6O4 — CID 42996362

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N6O4/c1-3-5-14-27(19-20(24)28(13-4-2)23(33)25-21(19)31)22(32)17-11-12-18(30)29(26-17)15-16-9-7-6-8-10-16/h6-12H,3-5,13-15,24H2,1-2H3,(H,25,31,33)
InChIKeyXHVZQHCFCJBGST-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.58
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide (PubChem CID 42996362) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide
PubChem CID42996362
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N6O4/c1-3-5-14-27(19-20(24)28(13-4-2)23(33)25-21(19)31)22(32)17-11-12-18(30)29(26-17)15-16-9-7-6-8-10-16/h6-12H,3-5,13-15,24H2,1-2H3,(H,25,31,33)
InChIKeyXHVZQHCFCJBGST-UHFFFAOYSA-N
XLogP1.58
TPSA136.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 16515152
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propanamide
CID 18231375
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpyrazine-2-carboxamide
CID 26185693
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
CID 25102512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2650964
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
CID 4796613

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide (CID 42996362) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide is CCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XHVZQHCFCJBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-3-5-14-27(19-20(24)28(13-4-2)23(33)25-21(19)31)22(32)17-11-12-18(30)29(26-17)15-16-9-7-6-8-10-16/h6-12H,3-5,13-15,24H2,1-2H3,(H,25,31,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42996362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).