N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

C14H18N4O2 — CID 109478737

IUPACN-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-2-12(4-8-19)17-14(20)11-3-5-16-13(9-11)18-7-6-15-10-18/h3,5-7,9-10,12,19H,2,4,8H2,1H3,(H,17,20)
InChIKeyZSYSTEJPLAOZEZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 109478737) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID109478737
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-2-12(4-8-19)17-14(20)11-3-5-16-13(9-11)18-7-6-15-10-18/h3,5-7,9-10,12,19H,2,4,8H2,1H3,(H,17,20)
InChIKeyZSYSTEJPLAOZEZ-UHFFFAOYSA-N
XLogP1.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815476
N-[2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51089973
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815477
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 109478737) is N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is CCC(CCO)NC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is ZSYSTEJPLAOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-12(4-8-19)17-14(20)11-3-5-16-13(9-11)18-7-6-15-10-18/h3,5-7,9-10,12,19H,2,4,8H2,1H3,(H,17,20).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 109478737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).