N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide

C25H34N6O4 — CID 55413717

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-4-6-8-16-30(21-22(26)31(15-7-5-2)25(34)27-23(21)33)20(32)14-13-19-28-29-24(35-19)18-11-9-17(3)10-12-18/h9-12H,4-8,13-16,26H2,1-3H3,(H,27,33,34)
InChIKeyMHIXQIKZYDHGBX-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.43
Rot. Bonds12

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide (PubChem CID 55413717) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
PubChem CID55413717
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-4-6-8-16-30(21-22(26)31(15-7-5-2)25(34)27-23(21)33)20(32)14-13-19-28-29-24(35-19)18-11-9-17(3)10-12-18/h9-12H,4-8,13-16,26H2,1-3H3,(H,27,33,34)
InChIKeyMHIXQIKZYDHGBX-UHFFFAOYSA-N
XLogP3.43
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 29435845
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16593375
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
CID 30971314
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 3-(2-chlorophenyl)propanoate
CID 29323013
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
CID 55427067
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide
CID 24594255
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,4-dimethylphenoxy)-N-pentylpropanamide
CID 55573828
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16599624

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide (CID 55413717) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide is CCCCCN(C(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide?
The InChIKey is MHIXQIKZYDHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-4-6-8-16-30(21-22(26)31(15-7-5-2)25(34)27-23(21)33)20(32)14-13-19-28-29-24(35-19)18-11-9-17(3)10-12-18/h9-12H,4-8,13-16,26H2,1-3H3,(H,27,33,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide has a molecular weight of 482.59 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide is sourced from PubChem (CID 55413717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).