N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide

C19H20N4O2 — CID 146088860

IUPACN-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(CO)Cc1ccccc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H20N4O2/c24-13-16(10-15-4-2-1-3-5-15)11-22-19(25)17-6-7-18(21-12-17)23-9-8-20-14-23/h1-9,12,14,16,24H,10-11,13H2,(H,22,25)
InChIKeyXOZATVDIJHNZIZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds7

About N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 146088860) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID146088860
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(CO)Cc1ccccc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H20N4O2/c24-13-16(10-15-4-2-1-3-5-15)11-22-19(25)17-6-7-18(21-12-17)23-9-8-20-14-23/h1-9,12,14,16,24H,10-11,13H2,(H,22,25)
InChIKeyXOZATVDIJHNZIZ-UHFFFAOYSA-N
XLogP1.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 146088860) is N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide is O=C(NCC(CO)Cc1ccccc1)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is XOZATVDIJHNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-13-16(10-15-4-2-1-3-5-15)11-22-19(25)17-6-7-18(21-12-17)23-9-8-20-14-23/h1-9,12,14,16,24H,10-11,13H2,(H,22,25).
What are the key properties of N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 146088860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).