N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide

C15H15FN2O3 — CID 115496998

IUPACN-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(F)n2)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-9-7-12(20-2)13(21-3)8-11(9)18-15(19)10-5-4-6-14(16)17-10/h4-8H,1-3H3,(H,18,19)
InChIKeyYSAQPHQXTRZDNE-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.80
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115496998) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115496998
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(F)n2)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-9-7-12(20-2)13(21-3)8-11(9)18-15(19)10-5-4-6-14(16)17-10/h4-8H,1-3H3,(H,18,19)
InChIKeyYSAQPHQXTRZDNE-UHFFFAOYSA-N
XLogP2.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(5-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 113342916
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 115496535
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide (CID 115496998) is N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide is COc1cc(C)c(NC(=O)c2cccc(F)n2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is YSAQPHQXTRZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-7-12(20-2)13(21-3)8-11(9)18-15(19)10-5-4-6-14(16)17-10/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).