N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide

C24H29N5O4 — CID 2529161

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O4/c1-4-33-22-18(11-8-13-26-22)23(31)28(14-12-16(2)3)19-20(25)29(24(32)27-21(19)30)15-17-9-6-5-7-10-17/h5-11,13,16H,4,12,14-15,25H2,1-3H3,(H,27,30,32)
InChIKeyFGOLBHKDLKGWRZ-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.65
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 2529161) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID2529161
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O4/c1-4-33-22-18(11-8-13-26-22)23(31)28(14-12-16(2)3)19-20(25)29(24(32)27-21(19)30)15-17-9-6-5-7-10-17/h5-11,13,16H,4,12,14-15,25H2,1-3H3,(H,27,30,32)
InChIKeyFGOLBHKDLKGWRZ-UHFFFAOYSA-N
XLogP2.65
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide (CID 2529161) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is FGOLBHKDLKGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-4-33-22-18(11-8-13-26-22)23(31)28(14-12-16(2)3)19-20(25)29(24(32)27-21(19)30)15-17-9-6-5-7-10-17/h5-11,13,16H,4,12,14-15,25H2,1-3H3,(H,27,30,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 2529161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).