N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide

C12H14N4O — CID 35437698

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4O/c1-9(2)12(17)15-10-3-4-11(14-7-10)16-6-5-13-8-16/h3-9H,1-2H3,(H,15,17)
InChIKeyRIJMQBHBDGXQPK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds3

About N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide

N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide (PubChem CID 35437698) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
PubChem CID35437698
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4O/c1-9(2)12(17)15-10-3-4-11(14-7-10)16-6-5-13-8-16/h3-9H,1-2H3,(H,15,17)
InChIKeyRIJMQBHBDGXQPK-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
CID 84582047
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
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
CID 97220819
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 95300199
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide (CID 35437698) is N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide?
The InChIKey is RIJMQBHBDGXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(2)12(17)15-10-3-4-11(14-7-10)16-6-5-13-8-16/h3-9H,1-2H3,(H,15,17).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide?
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.86, 3 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)-2-methylpropanamide is sourced from PubChem (CID 35437698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).