N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide

C17H24N4O2 — CID 109380562

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)15(22)17(3,4)10-20-16(23)13-5-6-19-14(9-13)21-8-7-18-11-21/h5-9,11-12,15,22H,10H2,1-4H3,(H,20,23)
InChIKeyRROOAIPSVVNVOF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.04
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 109380562) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID109380562
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)15(22)17(3,4)10-20-16(23)13-5-6-19-14(9-13)21-8-7-18-11-21/h5-9,11-12,15,22H,10H2,1-4H3,(H,20,23)
InChIKeyRROOAIPSVVNVOF-UHFFFAOYSA-N
XLogP2.04
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 84594593
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 109380562) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is RROOAIPSVVNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)15(22)17(3,4)10-20-16(23)13-5-6-19-14(9-13)21-8-7-18-11-21/h5-9,11-12,15,22H,10H2,1-4H3,(H,20,23).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 109380562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).