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

C23H28N4O5 — CID 26185426

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3oc2=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O5/c1-4-5-11-27-19(24)18(20(28)25-23(27)31)26(12-10-14(2)3)21(29)16-13-15-8-6-7-9-17(15)32-22(16)30/h6-9,13-14H,4-5,10-12,24H2,1-3H3,(H,25,28,31)
InChIKeyOPPYMWGWYDTXSS-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.72
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide (PubChem CID 26185426) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
PubChem CID26185426
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3oc2=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O5/c1-4-5-11-27-19(24)18(20(28)25-23(27)31)26(12-10-14(2)3)21(29)16-13-15-8-6-7-9-17(15)32-22(16)30/h6-9,13-14H,4-5,10-12,24H2,1-3H3,(H,25,28,31)
InChIKeyOPPYMWGWYDTXSS-UHFFFAOYSA-N
XLogP2.72
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(3-methylbutyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807989
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,6-dichloro-N-(3-methylbutyl)pyridine-2-carboxamide
CID 75448043
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide (CID 26185426) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3oc2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide?
The InChIKey is OPPYMWGWYDTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-4-5-11-27-19(24)18(20(28)25-23(27)31)26(12-10-14(2)3)21(29)16-13-15-8-6-7-9-17(15)32-22(16)30/h6-9,13-14H,4-5,10-12,24H2,1-3H3,(H,25,28,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.72, 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)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 26185426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).