5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

C11H13N5O — CID 70215186

IUPAC5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C11H13N5O/c1-14-11(13)16-10(17)9-5-6-4-7(12)2-3-8(6)15-9/h2-5,15H,12H2,1H3,(H3,13,14,16,17)
InChIKeyVSLXNVXFXUANGZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.42
Rot. Bonds1

About 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70215186) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70215186
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C11H13N5O/c1-14-11(13)16-10(17)9-5-6-4-7(12)2-3-8(6)15-9/h2-5,15H,12H2,1H3,(H3,13,14,16,17)
InChIKeyVSLXNVXFXUANGZ-UHFFFAOYSA-N
XLogP0.42
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214938
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70213563
6-[(5-amino-3-pyridinyl)oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216713
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
6-(4-aminophenoxy)-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70217817
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70215186) is 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is VSLXNVXFXUANGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-14-11(13)16-10(17)9-5-6-4-7(12)2-3-8(6)15-9/h2-5,15H,12H2,1H3,(H3,13,14,16,17).
What are the key properties of 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70215186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).