6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

C19H19FN4O3 — CID 129224342

IUPAC6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cnc(C(O)CO)c(F)c3)c2)c1
InChIInChI=1S/C19H19FN4O3/c1-12-3-2-4-13(5-12)8-24-9-17(22-11-24)23-19(27)14-6-15(20)18(21-7-14)16(26)10-25/h2-7,9,11,16,25-26H,8,10H2,1H3,(H,23,27)
InChIKeyZCUSRJTUCZGUPT-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.05
Rot. Bonds6

About 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 129224342) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
PubChem CID129224342
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cnc(C(O)CO)c(F)c3)c2)c1
InChIInChI=1S/C19H19FN4O3/c1-12-3-2-4-13(5-12)8-24-9-17(22-11-24)23-19(27)14-6-15(20)18(21-7-14)16(26)10-25/h2-7,9,11,16,25-26H,8,10H2,1H3,(H,23,27)
InChIKeyZCUSRJTUCZGUPT-UHFFFAOYSA-N
XLogP2.05
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 135209368
6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129205685
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
tert-butyl 4,4-dimethyl-6-[[1-[(3-methylphenyl)methyl]imidazol-4-yl]carbamoyl]-1,3-dihydroisoquinoline-2-carboxylate
CID 135209334
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
6-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224311
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 129224342) is 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3cnc(C(O)CO)c(F)c3)c2)c1.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is ZCUSRJTUCZGUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-3-2-4-13(5-12)8-24-9-17(22-11-24)23-19(27)14-6-15(20)18(21-7-14)16(26)10-25/h2-7,9,11,16,25-26H,8,10H2,1H3,(H,23,27).
What are the key properties of 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129224342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).