N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C25H28FN5O5 — CID 43044279

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CC(=O)N(c3ccc(C)c(F)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28FN5O5/c1-3-4-9-29-22(27)21(23(33)28-25(29)35)31(14-18-6-5-10-36-18)24(34)16-11-20(32)30(13-16)17-8-7-15(2)19(26)12-17/h5-8,10,12,16H,3-4,9,11,13-14,27H2,1-2H3,(H,28,33,35)
InChIKeyIUVYHIWKHRQQHY-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.55
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43044279) has the molecular formula C25H28FN5O5 and a molecular weight of 497.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43044279
Molecular FormulaC25H28FN5O5
Molecular Weight497.53 g/mol
Exact Mass497.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CC(=O)N(c3ccc(C)c(F)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28FN5O5/c1-3-4-9-29-22(27)21(23(33)28-25(29)35)31(14-18-6-5-10-36-18)24(34)16-11-20(32)30(13-16)17-8-7-15(2)19(26)12-17/h5-8,10,12,16H,3-4,9,11,13-14,27H2,1-2H3,(H,28,33,35)
InChIKeyIUVYHIWKHRQQHY-UHFFFAOYSA-N
XLogP2.55
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 39911259
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42916348
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 26195724
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 26195903
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2,5-dimethoxybenzamide
CID 30846713

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 43044279) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CC(=O)N(c3ccc(C)c(F)c3)C2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IUVYHIWKHRQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O5/c1-3-4-9-29-22(27)21(23(33)28-25(29)35)31(14-18-6-5-10-36-18)24(34)16-11-20(32)30(13-16)17-8-7-15(2)19(26)12-17/h5-8,10,12,16H,3-4,9,11,13-14,27H2,1-2H3,(H,28,33,35).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 2.55, 8 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)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43044279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).