6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide

C12H12N4O3 — CID 59189775

IUPAC6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C12H12N4O3/c1-5(17)6-2-3-7-8(4-6)15-11(16-12(14)19)9(7)10(13)18/h2-4,15H,1H3,(H2,13,18)(H3,14,16,19)
InChIKeyXTKFIEIVLFHQNB-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.96
Rot. Bonds3

About 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide

6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide (PubChem CID 59189775) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide
PubChem CID59189775
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C12H12N4O3/c1-5(17)6-2-3-7-8(4-6)15-11(16-12(14)19)9(7)10(13)18/h2-4,15H,1H3,(H2,13,18)(H3,14,16,19)
InChIKeyXTKFIEIVLFHQNB-UHFFFAOYSA-N
XLogP0.96
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide (CID 59189775) is 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide is CC(=O)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1.
What is the InChIKey of 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide?
The InChIKey is XTKFIEIVLFHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-5(17)6-2-3-7-8(4-6)15-11(16-12(14)19)9(7)10(13)18/h2-4,15H,1H3,(H2,13,18)(H3,14,16,19).
What are the key properties of 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide?
6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(carbamoylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).