5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide

C18H19FN4O3 — CID 137453613

IUPAC5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)n(C)c2c1CNC(=O)c1cnc(OC)c(F)c1
InChIInChI=1S/C18H19FN4O3/c1-10-22-14-5-6-15(25-3)12(16(14)23(10)2)9-20-17(24)11-7-13(19)18(26-4)21-8-11/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyODPJLJWHQNSXKY-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.36
Rot. Bonds5

About 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide

5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 137453613) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID137453613
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)n(C)c2c1CNC(=O)c1cnc(OC)c(F)c1
InChIInChI=1S/C18H19FN4O3/c1-10-22-14-5-6-15(25-3)12(16(14)23(10)2)9-20-17(24)11-7-13(19)18(26-4)21-8-11/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyODPJLJWHQNSXKY-UHFFFAOYSA-N
XLogP2.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
CID 142522009
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide (CID 137453613) is 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide is COc1ccc2nc(C)n(C)c2c1CNC(=O)c1cnc(OC)c(F)c1.
What is the InChIKey of 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ODPJLJWHQNSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-22-14-5-6-15(25-3)12(16(14)23(10)2)9-20-17(24)11-7-13(19)18(26-4)21-8-11/h5-8H,9H2,1-4H3,(H,20,24).
What are the key properties of 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide?
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 137453613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).