N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride

C13H19Cl2N5O — CID 119846827

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccc(-n2ccnc2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-14-6-2-3-13(19)17-11-4-5-12(16-9-11)18-8-7-15-10-18;;/h4-5,7-10,14H,2-3,6H2,1H3,(H,17,19);2*1H
InChIKeyKYPBQGYKTQXGSH-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.05
Rot. Bonds6

About N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride

N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119846827) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
PubChem CID119846827
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccc(-n2ccnc2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-14-6-2-3-13(19)17-11-4-5-12(16-9-11)18-8-7-15-10-18;;/h4-5,7-10,14H,2-3,6H2,1H3,(H,17,19);2*1H
InChIKeyKYPBQGYKTQXGSH-UHFFFAOYSA-N
XLogP2.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(methylamino)butanamide;dihydrochloride
CID 119860243
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
N-(6-imidazol-1-yl-3-pyridinyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94177685
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
N-(6-imidazol-1-yl-3-pyridinyl)-2-(3-methoxyphenoxy)acetamide
CID 90564820
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride (CID 119846827) is N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)Nc1ccc(-n2ccnc2)nc1.Cl.Cl.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is KYPBQGYKTQXGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-14-6-2-3-13(19)17-11-4-5-12(16-9-11)18-8-7-15-10-18;;/h4-5,7-10,14H,2-3,6H2,1H3,(H,17,19);2*1H.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride?
N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119846827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).