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

C23H29ClN4O4 — CID 55442029

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2=Cc3cc(Cl)ccc3OC2)c(=O)[nH]c1=O
InChIInChI=1S/C23H29ClN4O4/c1-4-5-9-28-20(25)19(21(29)26-23(28)31)27(10-8-14(2)3)22(30)16-11-15-12-17(24)6-7-18(15)32-13-16/h6-7,11-12,14H,4-5,8-10,13,25H2,1-3H3,(H,26,29,31)
InChIKeyPDOUIKWOKORPMV-UHFFFAOYSA-N
MW460.96 g/mol
LogP3.43
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide (PubChem CID 55442029) has the molecular formula C23H29ClN4O4 and a molecular weight of 460.96 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide
PubChem CID55442029
Molecular FormulaC23H29ClN4O4
Molecular Weight460.96 g/mol
Exact Mass460.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2=Cc3cc(Cl)ccc3OC2)c(=O)[nH]c1=O
InChIInChI=1S/C23H29ClN4O4/c1-4-5-9-28-20(25)19(21(29)26-23(28)31)27(10-8-14(2)3)22(30)16-11-15-12-17(24)6-7-18(15)32-13-16/h6-7,11-12,14H,4-5,8-10,13,25H2,1-3H3,(H,26,29,31)
InChIKeyPDOUIKWOKORPMV-UHFFFAOYSA-N
XLogP3.43
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
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)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
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)-3-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 26185451
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)-2-oxochromene-3-carboxamide
CID 26185426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide (CID 55442029) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C2=Cc3cc(Cl)ccc3OC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide?
The InChIKey is PDOUIKWOKORPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4/c1-4-5-9-28-20(25)19(21(29)26-23(28)31)27(10-8-14(2)3)22(30)16-11-15-12-17(24)6-7-18(15)32-13-16/h6-7,11-12,14H,4-5,8-10,13,25H2,1-3H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide has a molecular weight of 460.96 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 55442029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).