N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide

C16H18FN3O3S — CID 112529108

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)NCc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C16H18FN3O3S/c1-24(22,23)20-11-15-10-13(7-9-18-15)16(21)19-8-6-12-2-4-14(17)5-3-12/h2-5,7,9-10,20H,6,8,11H2,1H3,(H,19,21)
InChIKeyXMEQJPBOQFMKGD-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.24
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide (PubChem CID 112529108) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
PubChem CID112529108
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)NCc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C16H18FN3O3S/c1-24(22,23)20-11-15-10-13(7-9-18-15)16(21)19-8-6-12-2-4-14(17)5-3-12/h2-5,7,9-10,20H,6,8,11H2,1H3,(H,19,21)
InChIKeyXMEQJPBOQFMKGD-UHFFFAOYSA-N
XLogP1.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide (CID 112529108) is N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide is CS(=O)(=O)NCc1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide?
The InChIKey is XMEQJPBOQFMKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-24(22,23)20-11-15-10-13(7-9-18-15)16(21)19-8-6-12-2-4-14(17)5-3-12/h2-5,7,9-10,20H,6,8,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide is sourced from PubChem (CID 112529108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).