N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide

C18H17FN4O2 — CID 47071079

IUPACN-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(COc1ccccc1F)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H17FN4O2/c1-13(11-25-16-5-3-2-4-15(16)19)22-18(24)14-6-7-21-17(10-14)23-9-8-20-12-23/h2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyDLUBEXPSFZEVMI-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.60
Rot. Bonds6

About N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 47071079) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID47071079
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(COc1ccccc1F)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H17FN4O2/c1-13(11-25-16-5-3-2-4-15(16)19)22-18(24)14-6-7-21-17(10-14)23-9-8-20-12-23/h2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyDLUBEXPSFZEVMI-UHFFFAOYSA-N
XLogP2.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
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-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
CID 51091899
N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 138998358
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 47071079) is N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide is CC(COc1ccccc1F)NC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is DLUBEXPSFZEVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-13(11-25-16-5-3-2-4-15(16)19)22-18(24)14-6-7-21-17(10-14)23-9-8-20-12-23/h2-10,12-13H,11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 47071079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).