(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C22H35N5O4 — CID 124742012

IUPAC(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C22H35N5O4/c1-5-6-10-26-19(23)18(20(29)24-22(26)31)25(4)21(30)15-11-17(28)27(12-15)16-9-7-8-13(2)14(16)3/h13-16H,5-12,23H2,1-4H3,(H,24,29,31)/t13-,14-,15-,16-/m1/s1
InChIKeyXCTBDAMNTWAMOW-KLHDSHLOSA-N
MW433.55 g/mol
LogP1.55
Rot. Bonds6

About (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124742012) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124742012
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C22H35N5O4/c1-5-6-10-26-19(23)18(20(29)24-22(26)31)25(4)21(30)15-11-17(28)27(12-15)16-9-7-8-13(2)14(16)3/h13-16H,5-12,23H2,1-4H3,(H,24,29,31)/t13-,14-,15-,16-/m1/s1
InChIKeyXCTBDAMNTWAMOW-KLHDSHLOSA-N
XLogP1.55
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
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-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 42916303
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-9-oxo-N-pentylbicyclo[3.3.1]nonane-3-carboxamide
CID 46797192
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26196304
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-cyclopropyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55365658
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 26186059
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 42999712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 124742012) is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)c(=O)[nH]c1=O.
What is the InChIKey of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XCTBDAMNTWAMOW-KLHDSHLOSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-5-6-10-26-19(23)18(20(29)24-22(26)31)25(4)21(30)15-11-17(28)27(12-15)16-9-7-8-13(2)14(16)3/h13-16H,5-12,23H2,1-4H3,(H,24,29,31)/t13-,14-,15-,16-/m1/s1.
What are the key properties of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124742012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).