N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

C16H24Cl2N6O — CID 119589222

IUPACN-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccnc(-n2cncn2)c1)C1CCCCC1
InChIInChI=1S/C16H22N6O.2ClH/c17-9-14(12-4-2-1-3-5-12)21-16(23)13-6-7-19-15(8-13)22-11-18-10-20-22;;/h6-8,10-12,14H,1-5,9,17H2,(H,21,23);2*1H
InChIKeyGOBIPESUJXICJL-UHFFFAOYSA-N
MW387.32 g/mol
LogP2.14
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 119589222) has the molecular formula C16H24Cl2N6O and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID119589222
Molecular FormulaC16H24Cl2N6O
Molecular Weight387.32 g/mol
Exact Mass386.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccnc(-n2cncn2)c1)C1CCCCC1
InChIInChI=1S/C16H22N6O.2ClH/c17-9-14(12-4-2-1-3-5-12)21-16(23)13-6-7-19-15(8-13)22-11-18-10-20-22;;/h6-8,10-12,14H,1-5,9,17H2,(H,21,23);2*1H
InChIKeyGOBIPESUJXICJL-UHFFFAOYSA-N
XLogP2.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75363707
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (CID 119589222) is N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1ccnc(-n2cncn2)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is GOBIPESUJXICJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.2ClH/c17-9-14(12-4-2-1-3-5-12)21-16(23)13-6-7-19-15(8-13)22-11-18-10-20-22;;/h6-8,10-12,14H,1-5,9,17H2,(H,21,23);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 387.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119589222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).