6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

C13H16ClN5O2 — CID 70213563

IUPAC6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2ccc(NC(C)=O)cc2[nH]1.Cl
InChIInChI=1S/C13H15N5O2.ClH/c1-7(19)16-9-4-3-8-5-11(17-10(8)6-9)12(20)18-13(14)15-2;/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20);1H
InChIKeyQEZOAGNJPPCHRX-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.22
Rot. Bonds2

About 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 70213563) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
PubChem CID70213563
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2ccc(NC(C)=O)cc2[nH]1.Cl
InChIInChI=1S/C13H15N5O2.ClH/c1-7(19)16-9-4-3-8-5-11(17-10(8)6-9)12(20)18-13(14)15-2;/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20);1H
InChIKeyQEZOAGNJPPCHRX-UHFFFAOYSA-N
XLogP1.22
TPSA112.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.22
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

N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214938
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216865
6-[(5-amino-3-pyridinyl)oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216713
6-[[5-(aminomethyl)-3-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 139697400
N-(N'-methylcarbamimidoyl)-6-(2-nitrophenoxy)-1H-indole-2-carboxamide
CID 70218200
N-(N'-methylcarbamimidoyl)-4-nitro-1H-indole-2-carboxamide
CID 70216647
6-[[2-(diethylaminomethyl)-4-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216653
4-(aminomethyl)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 67645266
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (CID 70213563) is 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is C/N=C(\N)NC(=O)c1cc2ccc(NC(C)=O)cc2[nH]1.Cl.
What is the InChIKey of 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is QEZOAGNJPPCHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.ClH/c1-7(19)16-9-4-3-8-5-11(17-10(8)6-9)12(20)18-13(14)15-2;/h3-6,17H,1-2H3,(H,16,19)(H3,14,15,18,20);1H.
What are the key properties of 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 70213563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).