5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

C12H15ClN4O — CID 70214938

IUPAC5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2cc(C)ccc2[nH]1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-7-3-4-9-8(5-7)6-10(15-9)11(17)16-12(13)14-2;/h3-6,15H,1-2H3,(H3,13,14,16,17);1H
InChIKeyJZMCFVXHJHXXEN-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.57
Rot. Bonds1

About 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 70214938) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
PubChem CID70214938
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2cc(C)ccc2[nH]1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-7-3-4-9-8(5-7)6-10(15-9)11(17)16-12(13)14-2;/h3-6,15H,1-2H3,(H3,13,14,16,17);1H
InChIKeyJZMCFVXHJHXXEN-UHFFFAOYSA-N
XLogP1.57
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70213563
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
4-(aminomethyl)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 67645266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (CID 70214938) is 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is C/N=C(\N)NC(=O)c1cc2cc(C)ccc2[nH]1.Cl.
What is the InChIKey of 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is JZMCFVXHJHXXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-7-3-4-9-8(5-7)6-10(15-9)11(17)16-12(13)14-2;/h3-6,15H,1-2H3,(H3,13,14,16,17);1H.
What are the key properties of 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 70214938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).