N-(6-imidazol-1-yl-3-pyridinyl)butanamide

C12H14N4O — CID 35437719

IUPACN-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCCC(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4O/c1-2-3-12(17)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeyLSTIZRGVNKZERG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)butanamide

N-(6-imidazol-1-yl-3-pyridinyl)butanamide (PubChem CID 35437719) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)butanamide
PubChem CID35437719
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCCC(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4O/c1-2-3-12(17)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeyLSTIZRGVNKZERG-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
CID 119846827
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
N-(6-imidazol-1-yl-3-pyridinyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94177685
N-(6-imidazol-1-yl-3-pyridinyl)-2-(3-methoxyphenoxy)acetamide
CID 90564820
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)butanamide (CID 35437719) is N-(6-imidazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)butanamide is CCCC(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is LSTIZRGVNKZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-3-12(17)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
N-(6-imidazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 230.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 35437719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).