N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide

C20H15ClF2N2O2 — CID 176599294

IUPACN-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(c2ccc(Cl)cc2)c2cc(F)ccc2O)ccc1F
InChIInChI=1S/C20H15ClF2N2O2/c1-11-16(23)7-8-17(24-11)20(27)25-19(12-2-4-13(21)5-3-12)15-10-14(22)6-9-18(15)26/h2-10,19,26H,1H3,(H,25,27)
InChIKeyGMWHAEMIBYGNNA-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.55
Rot. Bonds4

About N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide

N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide (PubChem CID 176599294) has the molecular formula C20H15ClF2N2O2 and a molecular weight of 388.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
PubChem CID176599294
Molecular FormulaC20H15ClF2N2O2
Molecular Weight388.80 g/mol
Exact Mass388.08
IUPAC NameN-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(c2ccc(Cl)cc2)c2cc(F)ccc2O)ccc1F
InChIInChI=1S/C20H15ClF2N2O2/c1-11-16(23)7-8-17(24-11)20(27)25-19(12-2-4-13(21)5-3-12)15-10-14(22)6-9-18(15)26/h2-10,19,26H,1H3,(H,25,27)
InChIKeyGMWHAEMIBYGNNA-UHFFFAOYSA-N
XLogP4.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.55
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-[(S)-(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176598912
N-[(R)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
CID 176599439
N-[(S)-(5-fluoro-2-hydroxyphenyl)-phenylmethyl]-6-methylpyridine-2-carboxamide
CID 176599346
N-[(3,4-difluorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 176599765
2-[(R)-(4-chlorophenyl)-hydrazinylmethyl]-4-fluorophenol
CID 124633762
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methyl-4-[2-(2-methyl-2-azaspiro[3.3]heptan-6-yl)ethynyl]pyridine-2-carboxamide
CID 176598954
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
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-4-[2-[1-(hydroxymethyl)cyclopropyl]ethynyl]-6-methylpyridine-2-carboxamide
CID 176599474
N-[(5-fluoro-2-hydroxyphenyl)-(4-methylphenyl)methyl]-5-(3-hydroxybut-1-ynyl)-1-methylpyrazole-3-carboxamide
CID 176599788
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-(oxan-4-yl)ethynyl]pyridine-2-carboxamide
CID 176598930
4-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176599728
4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176599401

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide (CID 176599294) is N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC(c2ccc(Cl)cc2)c2cc(F)ccc2O)ccc1F.
What is the InChIKey of N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The InChIKey is GMWHAEMIBYGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O2/c1-11-16(23)7-8-17(24-11)20(27)25-19(12-2-4-13(21)5-3-12)15-10-14(22)6-9-18(15)26/h2-10,19,26H,1H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide has a molecular weight of 388.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 176599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).