N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide

C20H17FN2O2S — CID 38614359

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O2S/c1-26-20-18(9-4-10-22-20)19(24)23-16-7-2-5-14(11-16)13-25-17-8-3-6-15(21)12-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyICYHZGHXQIOQHF-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.77
Rot. Bonds6

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 38614359) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID38614359
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O2S/c1-26-20-18(9-4-10-22-20)19(24)23-16-7-2-5-14(11-16)13-25-17-8-3-6-15(21)12-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyICYHZGHXQIOQHF-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
CID 112821396
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78901674
N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18288969
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55778127
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
2-chloro-N-[1-[3-[(3-fluorophenoxy)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55654046

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 38614359) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ICYHZGHXQIOQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-26-20-18(9-4-10-22-20)19(24)23-16-7-2-5-14(11-16)13-25-17-8-3-6-15(21)12-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 38614359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).