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

C24H34N6O4 — CID 112807989

IUPACN-(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
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C(C)C)nc3onc(C)c23)c(=O)[nH]c1=O
InChIInChI=1S/C24H34N6O4/c1-7-8-10-30-20(25)19(21(31)27-24(30)33)29(11-9-13(2)3)23(32)16-12-17(14(4)5)26-22-18(16)15(6)28-34-22/h12-14H,7-11,25H2,1-6H3,(H,27,31,33)
InChIKeyMDXXXNGMKKUIDQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.58
Rot. Bonds9

About 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

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 (PubChem CID 112807989) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID112807989
Molecular FormulaC24H34N6O4
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC NameN-(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
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C(C)C)nc3onc(C)c23)c(=O)[nH]c1=O
InChIInChI=1S/C24H34N6O4/c1-7-8-10-30-20(25)19(21(31)27-24(30)33)29(11-9-13(2)3)23(32)16-12-17(14(4)5)26-22-18(16)15(6)28-34-22/h12-14H,7-11,25H2,1-6H3,(H,27,31,33)
InChIKeyMDXXXNGMKKUIDQ-UHFFFAOYSA-N
XLogP3.58
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43041124
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)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
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)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30394158
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)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methylbutyl)-2H-chromene-3-carboxamide
CID 55442029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C(C)C)nc3onc(C)c23)c(=O)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is MDXXXNGMKKUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-7-8-10-30-20(25)19(21(31)27-24(30)33)29(11-9-13(2)3)23(32)16-12-17(14(4)5)26-22-18(16)15(6)28-34-22/h12-14H,7-11,25H2,1-6H3,(H,27,31,33).
What are the key properties of 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?
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 has a molecular weight of 470.57 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 112807989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).