[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium

C24H33N8O+ — CID 123804952

IUPAC[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium
SMILESCN(C)C1CCCCC1[N+](C)(C)c1ccc(C(N)=O)c(Nc2cncc(-n3ccnc3)c2)n1
InChIInChI=1S/C24H32N8O/c1-30(2)20-7-5-6-8-21(20)32(3,4)22-10-9-19(23(25)33)24(29-22)28-17-13-18(15-27-14-17)31-12-11-26-16-31/h9-16,20-21H,5-8H2,1-4H3,(H2-,25,28,29,33)/p+1
InChIKeyZEGURPSGPLYVRG-UHFFFAOYSA-O
MW449.58 g/mol
LogP2.94
Rot. Bonds7

About [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium

[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium (PubChem CID 123804952) has the molecular formula C24H33N8O+ and a molecular weight of 449.58 g/mol. Its IUPAC name is [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium
PubChem CID123804952
Molecular FormulaC24H33N8O+
Molecular Weight449.58 g/mol
Exact Mass449.28
IUPAC Name[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium
SMILESCN(C)C1CCCCC1[N+](C)(C)c1ccc(C(N)=O)c(Nc2cncc(-n3ccnc3)c2)n1
InChIInChI=1S/C24H32N8O/c1-30(2)20-7-5-6-8-21(20)32(3,4)22-10-9-19(23(25)33)24(29-22)28-17-13-18(15-27-14-17)31-12-11-26-16-31/h9-16,20-21H,5-8H2,1-4H3,(H2-,25,28,29,33)/p+1
InChIKeyZEGURPSGPLYVRG-UHFFFAOYSA-O
XLogP2.94
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 129192209
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67777059
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
CID 71577713
6-[[(1R)-2-aminocyclohexyl]-methylamino]-2-[[5-(3-aminophenyl)-3-pyridinyl]amino]-5-fluoropyridine-3-carboxamide
CID 68612196
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
CID 123644186
4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 123207972
6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509276
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305758
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 64825093
[5-carbamoyl-3-fluoro-6-[[5-(1,3-thiazol-2-yl)-3-pyridinyl]amino]-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123334444

Frequently Asked Questions

What is the IUPAC name of [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium?
The IUPAC name of [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium (CID 123804952) is [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium.
What is the SMILES notation for [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium?
The canonical SMILES for [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium is CN(C)C1CCCCC1[N+](C)(C)c1ccc(C(N)=O)c(Nc2cncc(-n3ccnc3)c2)n1.
What is the InChIKey of [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium?
The InChIKey is ZEGURPSGPLYVRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N8O/c1-30(2)20-7-5-6-8-21(20)32(3,4)22-10-9-19(23(25)33)24(29-22)28-17-13-18(15-27-14-17)31-12-11-26-16-31/h9-16,20-21H,5-8H2,1-4H3,(H2-,25,28,29,33)/p+1.
What are the key properties of [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium?
[5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium has a molecular weight of 449.58 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbamoyl-6-[(5-imidazol-1-yl-3-pyridinyl)amino]-2-pyridinyl]-[2-(dimethylamino)cyclohexyl]-dimethylazanium is sourced from PubChem (CID 123804952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).