N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide

C23H30N6O3 — CID 30969804

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(-n2cccn2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N6O3/c1-3-5-7-15-27(19-20(24)28(14-6-4-2)23(32)26-21(19)30)22(31)17-9-11-18(12-10-17)29-16-8-13-25-29/h8-13,16H,3-7,14-15,24H2,1-2H3,(H,26,30,32)
InChIKeyXCJIJASNXOXEPI-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.94
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide (PubChem CID 30969804) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
PubChem CID30969804
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(-n2cccn2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N6O3/c1-3-5-7-15-27(19-20(24)28(14-6-4-2)23(32)26-21(19)30)22(31)17-9-11-18(12-10-17)29-16-8-13-25-29/h8-13,16H,3-7,14-15,24H2,1-2H3,(H,26,30,32)
InChIKeyXCJIJASNXOXEPI-UHFFFAOYSA-N
XLogP2.94
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
CID 29310153
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593377
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
CID 26205838
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-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpyrazine-2-carboxamide
CID 26185693

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide (CID 30969804) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide is CCCCCN(C(=O)c1ccc(-n2cccn2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide?
The InChIKey is XCJIJASNXOXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-3-5-7-15-27(19-20(24)28(14-6-4-2)23(32)26-21(19)30)22(31)17-9-11-18(12-10-17)29-16-8-13-25-29/h8-13,16H,3-7,14-15,24H2,1-2H3,(H,26,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 30969804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).