N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide

C22H31N5O5 — CID 16564152

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O5/c1-3-5-11-26(17-18(23)27(10-4-2)22(31)24-19(17)28)20(29)15-8-12-25(13-9-15)21(30)16-7-6-14-32-16/h6-7,14-15H,3-5,8-13,23H2,1-2H3,(H,24,28,31)
InChIKeyIYGCANIXTFQOAH-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.81
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16564152) has the molecular formula C22H31N5O5 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID16564152
Molecular FormulaC22H31N5O5
Molecular Weight445.52 g/mol
Exact Mass445.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O5/c1-3-5-11-26(17-18(23)27(10-4-2)22(31)24-19(17)28)20(29)15-8-12-25(13-9-15)21(30)16-7-6-14-32-16/h6-7,14-15H,3-5,8-13,23H2,1-2H3,(H,24,28,31)
InChIKeyIYGCANIXTFQOAH-UHFFFAOYSA-N
XLogP1.81
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.81
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-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16564109
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-pentylcyclopentanecarboxamide
CID 8838842
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-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55755418
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605539
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)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 26186059
(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55403632
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-9-oxo-N-pentylbicyclo[3.3.1]nonane-3-carboxamide
CID 46797192

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 16564152) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide is CCCCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is IYGCANIXTFQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5/c1-3-5-11-26(17-18(23)27(10-4-2)22(31)24-19(17)28)20(29)15-8-12-25(13-9-15)21(30)16-7-6-14-32-16/h6-7,14-15H,3-5,8-13,23H2,1-2H3,(H,24,28,31).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16564152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).