N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C19H22N4O5 — CID 42916303

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)C2Cc3ccccc3C(=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O5/c1-3-4-9-23-15(20)14(16(24)21-19(23)27)22(2)17(25)13-10-11-7-5-6-8-12(11)18(26)28-13/h5-8,13H,3-4,9-10,20H2,1-2H3,(H,21,24,27)
InChIKeyUQGWMRTYGSLGRU-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.66
Rot. Bonds5

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 42916303) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID42916303
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)C2Cc3ccccc3C(=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O5/c1-3-4-9-23-15(20)14(16(24)21-19(23)27)22(2)17(25)13-10-11-7-5-6-8-12(11)18(26)28-13/h5-8,13H,3-4,9-10,20H2,1-2H3,(H,21,24,27)
InChIKeyUQGWMRTYGSLGRU-UHFFFAOYSA-N
XLogP0.66
TPSA127.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8918138
(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 41137228
(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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 42916290
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
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-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038249
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572280
N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
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 N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 42916303) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is CCCCn1c(N)c(N(C)C(=O)C2Cc3ccccc3C(=O)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is UQGWMRTYGSLGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-3-4-9-23-15(20)14(16(24)21-19(23)27)22(2)17(25)13-10-11-7-5-6-8-12(11)18(26)28-13/h5-8,13H,3-4,9-10,20H2,1-2H3,(H,21,24,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 0.66, 5 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)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 42916303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).