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

C18H22N6O5 — CID 55555426

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCc2nc(-c3ccco3)no2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N6O5/c1-3-4-9-24-15(19)14(17(26)21-18(24)27)23(2)13(25)8-7-12-20-16(22-29-12)11-6-5-10-28-11/h5-6,10H,3-4,7-9,19H2,1-2H3,(H,21,26,27)
InChIKeyUVNUPERFILFANJ-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.16
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 55555426) has the molecular formula C18H22N6O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID55555426
Molecular FormulaC18H22N6O5
Molecular Weight402.41 g/mol
Exact Mass402.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCc2nc(-c3ccco3)no2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N6O5/c1-3-4-9-24-15(19)14(17(26)21-18(24)27)23(2)13(25)8-7-12-20-16(22-29-12)11-6-5-10-28-11/h5-6,10H,3-4,7-9,19H2,1-2H3,(H,21,26,27)
InChIKeyUVNUPERFILFANJ-UHFFFAOYSA-N
XLogP1.16
TPSA153.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 38908007
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
CID 55623438
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8620707
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 26196408
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 55339130
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43041124
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 55555426) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CCCCn1c(N)c(N(C)C(=O)CCc2nc(-c3ccco3)no2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is UVNUPERFILFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O5/c1-3-4-9-24-15(19)14(17(26)21-18(24)27)23(2)13(25)8-7-12-20-16(22-29-12)11-6-5-10-28-11/h5-6,10H,3-4,7-9,19H2,1-2H3,(H,21,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 402.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 55555426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).