N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

C24H35N5O5 — CID 16564109

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)c3ccco3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O5/c1-4-5-11-29-20(25)19(21(30)26-24(29)33)28(14-8-16(2)3)22(31)17-9-12-27(13-10-17)23(32)18-7-6-15-34-18/h6-7,15-17H,4-5,8-14,25H2,1-3H3,(H,26,30,33)
InChIKeyNGOLYOMLHKTIRC-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.44
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 16564109) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID16564109
Molecular FormulaC24H35N5O5
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)c3ccco3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O5/c1-4-5-11-29-20(25)19(21(30)26-24(29)33)28(14-8-16(2)3)22(31)17-9-12-27(13-10-17)23(32)18-7-6-15-34-18/h6-7,15-17H,4-5,8-14,25H2,1-3H3,(H,26,30,33)
InChIKeyNGOLYOMLHKTIRC-UHFFFAOYSA-N
XLogP2.44
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 16564138
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564152
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55755418
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262599
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748197
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605539

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide (CID 16564109) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)c3ccco3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is NGOLYOMLHKTIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-4-5-11-29-20(25)19(21(30)26-24(29)33)28(14-8-16(2)3)22(31)17-9-12-27(13-10-17)23(32)18-7-6-15-34-18/h6-7,15-17H,4-5,8-14,25H2,1-3H3,(H,26,30,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 2.44, 9 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-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 16564109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).