2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide

C14H12F3N3O4S — CID 177138950

IUPAC2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide
SMILESCOc1c(-c2cc(C(N)=O)ccn2)cc(N)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H12F3N3O4S/c1-24-12-9(10-4-7(13(19)21)2-3-20-10)5-8(18)6-11(12)25(22,23)14(15,16)17/h2-6H,18H2,1H3,(H2,19,21)
InChIKeyKOMAGQJXSVPZBS-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.73
Rot. Bonds4

About 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide

2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide (PubChem CID 177138950) has the molecular formula C14H12F3N3O4S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide
PubChem CID177138950
Molecular FormulaC14H12F3N3O4S
Molecular Weight375.33 g/mol
Exact Mass375.05
IUPAC Name2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide
SMILESCOc1c(-c2cc(C(N)=O)ccn2)cc(N)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H12F3N3O4S/c1-24-12-9(10-4-7(13(19)21)2-3-20-10)5-8(18)6-11(12)25(22,23)14(15,16)17/h2-6H,18H2,1H3,(H2,19,21)
InChIKeyKOMAGQJXSVPZBS-UHFFFAOYSA-N
XLogP1.73
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 177139287
2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 142685767
3-chloro-4-(trifluoromethylsulfonyl)benzamide
CID 57432721
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
CID 61015827
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 156608630
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide
CID 97221238

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide (CID 177138950) is 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide is COc1c(-c2cc(C(N)=O)ccn2)cc(N)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is KOMAGQJXSVPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4S/c1-24-12-9(10-4-7(13(19)21)2-3-20-10)5-8(18)6-11(12)25(22,23)14(15,16)17/h2-6H,18H2,1H3,(H2,19,21).
What are the key properties of 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide?
2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 177138950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).