7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

C13H15N5O2 — CID 70216865

IUPAC7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(NC(C)=O)c2[nH]1
InChIInChI=1S/C13H15N5O2/c1-7(19)16-9-5-3-4-8-6-10(17-11(8)9)12(20)18-13(14)15-2/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20)
InChIKeyZUSVQIQRSGWCTC-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.80
Rot. Bonds2

About 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70216865) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70216865
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(NC(C)=O)c2[nH]1
InChIInChI=1S/C13H15N5O2/c1-7(19)16-9-5-3-4-8-6-10(17-11(8)9)12(20)18-13(14)15-2/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20)
InChIKeyZUSVQIQRSGWCTC-UHFFFAOYSA-N
XLogP0.80
TPSA112.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213619
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213833
6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70213563
N-(N'-methylcarbamimidoyl)-7-(4-nitrophenoxy)-1H-indole-2-carboxamide
CID 70218204
N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 70215082
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
ethyl 1-methyl-7-(2-phenylethylamino)indole-2-carboxylate;N-(N'-methylcarbamimidoyl)-7-(2-phenylethylamino)-1H-indole-2-carboxamide
CID 158118455
5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214938
N-(N'-methylcarbamimidoyl)-7-[4-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 70214887
N-(N'-methylcarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]oxy-1H-indole-2-carboxamide
CID 139697399
N-(N'-methylcarbamimidoyl)-4-nitro-1H-indole-2-carboxamide
CID 70216647

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70216865) is 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2cccc(NC(C)=O)c2[nH]1.
What is the InChIKey of 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is ZUSVQIQRSGWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7(19)16-9-5-3-4-8-6-10(17-11(8)9)12(20)18-13(14)15-2/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20).
What are the key properties of 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70216865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).