potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide

C19H23KN5O2- — CID 178110771

IUPACpotassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
SMILES[CH2-]c1c(NC)ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c12.[CH3-].[K+]
InChIInChI=1S/C18H20N5O2.CH3.K/c1-8-5-6-12(24)9(2)14(8)23-15-10(3)18(21-4)22-7-11(15)13(16(23)19)17(20)25;;/h5-7,24H,3,19H2,1-2,4H3,(H2,20,25)(H,21,22);1H3;/q2*-1;+1
InChIKeyWIFYXPCDVHCRQQ-UHFFFAOYSA-N
MW392.52 g/mol
LogP-0.29
Rot. Bonds3

About potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide

potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide (PubChem CID 178110771) has the molecular formula C19H23KN5O2- and a molecular weight of 392.52 g/mol. Its IUPAC name is potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide.

Molecular Properties

Compound Namepotassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
PubChem CID178110771
Molecular FormulaC19H23KN5O2-
Molecular Weight392.52 g/mol
Exact Mass392.15
IUPAC Namepotassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
SMILES[CH2-]c1c(NC)ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c12.[CH3-].[K+]
InChIInChI=1S/C18H20N5O2.CH3.K/c1-8-5-6-12(24)9(2)14(8)23-15-10(3)18(21-4)22-7-11(15)13(16(23)19)17(20)25;;/h5-7,24H,3,19H2,1-2,4H3,(H2,20,25)(H,21,22);1H3;/q2*-1;+1
InChIKeyWIFYXPCDVHCRQQ-UHFFFAOYSA-N
XLogP-0.29
TPSA119.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163631
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163596
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163622
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
5-amino-4-(3-hydroxy-2,6-dimethylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene-6-carboxamide
CID 168731077
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111080
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide?
The IUPAC name of potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide (CID 178110771) is potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide.
What is the SMILES notation for potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide?
The canonical SMILES for potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide is [CH2-]c1c(NC)ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c12.[CH3-].[K+].
What is the InChIKey of potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide?
The InChIKey is WIFYXPCDVHCRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N5O2.CH3.K/c1-8-5-6-12(24)9(2)14(8)23-15-10(3)18(21-4)22-7-11(15)13(16(23)19)17(20)25;;/h5-7,24H,3,19H2,1-2,4H3,(H2,20,25)(H,21,22);1H3;/q2*-1;+1.
What are the key properties of potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide?
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide has a molecular weight of 392.52 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide is sourced from PubChem (CID 178110771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).