N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide

C23H27ClN4O4 — CID 25102666

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H27ClN4O4/c1-3-5-13-27(19-20(25)28(14-6-4-2)23(31)26-21(19)29)22(30)18-12-11-17(32-18)15-7-9-16(24)10-8-15/h7-12H,3-6,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyOWMDRJYNCBORGJ-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.28
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 25102666) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID25102666
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H27ClN4O4/c1-3-5-13-27(19-20(25)28(14-6-4-2)23(31)26-21(19)29)22(30)18-12-11-17(32-18)15-7-9-16(24)10-8-15/h7-12H,3-6,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyOWMDRJYNCBORGJ-UHFFFAOYSA-N
XLogP4.28
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide (CID 25102666) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide is CCCCN(C(=O)c1ccc(-c2ccc(Cl)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)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is OWMDRJYNCBORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-3-5-13-27(19-20(25)28(14-6-4-2)23(31)26-21(19)29)22(30)18-12-11-17(32-18)15-7-9-16(24)10-8-15/h7-12H,3-6,13-14,25H2,1-2H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 25102666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).