N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide

C20H17FN2O2 — CID 176599346

IUPACN-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(F)ccc2O)n1
InChIInChI=1S/C20H17FN2O2/c1-13-6-5-9-17(22-13)20(25)23-19(14-7-3-2-4-8-14)16-12-15(21)10-11-18(16)24/h2-12,19,24H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyOHJQGDVJDDWSKJ-IBGZPJMESA-N
MW336.37 g/mol
LogP3.75
Rot. Bonds4

About N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide

N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide (PubChem CID 176599346) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
PubChem CID176599346
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(F)ccc2O)n1
InChIInChI=1S/C20H17FN2O2/c1-13-6-5-9-17(22-13)20(25)23-19(14-7-3-2-4-8-14)16-12-15(21)10-11-18(16)24/h2-12,19,24H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyOHJQGDVJDDWSKJ-IBGZPJMESA-N
XLogP3.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.75
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-[(R)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
CID 176599439
N-[(S)-(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176598912
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 176599294
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-4-[2-[1-(hydroxymethyl)cyclopropyl]ethynyl]-6-methylpyridine-2-carboxamide
CID 176599474
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
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-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176599728
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-(oxan-4-yl)ethynyl]pyridine-2-carboxamide
CID 176598930
N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 176599765
4-fluoro-2-[phenyl-(1,2,4-triazol-4-ylamino)methyl]phenol
CID 6610776
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]ethynyl]pyridine-2-carboxamide
CID 176599723

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide (CID 176599346) is N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(F)ccc2O)n1.
What is the InChIKey of N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide?
The InChIKey is OHJQGDVJDDWSKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13-6-5-9-17(22-13)20(25)23-19(14-7-3-2-4-8-14)16-12-15(21)10-11-18(16)24/h2-12,19,24H,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide?
N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 176599346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).