N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide

C20H15F3N2O2 — CID 176599765

IUPACN-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC(c2ccc(F)c(F)c2)c2cc(F)ccc2O)c1
InChIInChI=1S/C20H15F3N2O2/c1-11-6-7-24-17(8-11)20(27)25-19(12-2-4-15(22)16(23)9-12)14-10-13(21)3-5-18(14)26/h2-10,19,26H,1H3,(H,25,27)
InChIKeyFUQIDPSNSOUQNL-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.03
Rot. Bonds4

About N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide

N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide (PubChem CID 176599765) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide
PubChem CID176599765
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC(c2ccc(F)c(F)c2)c2cc(F)ccc2O)c1
InChIInChI=1S/C20H15F3N2O2/c1-11-6-7-24-17(8-11)20(27)25-19(12-2-4-15(22)16(23)9-12)14-10-13(21)3-5-18(14)26/h2-10,19,26H,1H3,(H,25,27)
InChIKeyFUQIDPSNSOUQNL-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 176599294
N-[(S)-(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176598912
N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
CID 176599346
N-[(R)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
CID 176599439
N-[(5-fluoro-2-hydroxyphenyl)-(4-methylphenyl)methyl]-5-(3-hydroxybut-1-ynyl)-1-methylpyrazole-3-carboxamide
CID 176599788
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]pyridine-2-carboxamide
CID 176599521
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-4-[2-[1-(hydroxymethyl)cyclopropyl]ethynyl]-6-methylpyridine-2-carboxamide
CID 176599474
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-(oxan-4-yl)ethynyl]pyridine-2-carboxamide
CID 176598930
N-[(5-fluoro-2-hydroxyphenyl)-(4-methylphenyl)methyl]-6-methyl-4-[2-[(3S)-oxolan-3-yl]ethynyl]pyridine-2-carboxamide
CID 176599410

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide (CID 176599765) is N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NC(c2ccc(F)c(F)c2)c2cc(F)ccc2O)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide?
The InChIKey is FUQIDPSNSOUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-11-6-7-24-17(8-11)20(27)25-19(12-2-4-15(22)16(23)9-12)14-10-13(21)3-5-18(14)26/h2-10,19,26H,1H3,(H,25,27).
What are the key properties of N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide?
N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 176599765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).