1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C21H19N5O6S — CID 66821636

IUPAC1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C21H19N5O6S/c1-11-5-6-15-14(8-11)16(13-4-3-7-22-19(13)28)17(20(29)25-33(2,31)32)26(15)10-12-9-23-21(30)24-18(12)27/h3-9H,10H2,1-2H3,(H,22,28)(H,25,29)(H2,23,24,27,30)
InChIKeyKZFOQWBYUMIOSU-UHFFFAOYSA-N
MW469.48 g/mol
LogP0.42
Rot. Bonds5

About 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 66821636) has the molecular formula C21H19N5O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID66821636
Molecular FormulaC21H19N5O6S
Molecular Weight469.48 g/mol
Exact Mass469.11
IUPAC Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C21H19N5O6S/c1-11-5-6-15-14(8-11)16(13-4-3-7-22-19(13)28)17(20(29)25-33(2,31)32)26(15)10-12-9-23-21(30)24-18(12)27/h3-9H,10H2,1-2H3,(H,22,28)(H,25,29)(H2,23,24,27,30)
InChIKeyKZFOQWBYUMIOSU-UHFFFAOYSA-N
XLogP0.42
TPSA166.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 66821636) is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is KZFOQWBYUMIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S/c1-11-5-6-15-14(8-11)16(13-4-3-7-22-19(13)28)17(20(29)25-33(2,31)32)26(15)10-12-9-23-21(30)24-18(12)27/h3-9H,10H2,1-2H3,(H,22,28)(H,25,29)(H2,23,24,27,30).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 66821636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).