N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide

C19H16FN3O3S — CID 9155700

IUPACN-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C19H16FN3O3S/c20-15-6-8-16(9-7-15)27(25,26)18(14-4-3-10-21-12-14)13-23-19(24)17-5-1-2-11-22-17/h1-12,18H,13H2,(H,23,24)/t18-/m0/s1
InChIKeyJSYPCACBFJQELY-SFHVURJKSA-N
MW385.42 g/mol
LogP2.56
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide

N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (PubChem CID 9155700) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
PubChem CID9155700
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C19H16FN3O3S/c20-15-6-8-16(9-7-15)27(25,26)18(14-4-3-10-21-12-14)13-23-19(24)17-5-1-2-11-22-17/h1-12,18H,13H2,(H,23,24)/t18-/m0/s1
InChIKeyJSYPCACBFJQELY-SFHVURJKSA-N
XLogP2.56
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (CID 9155700) is N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The InChIKey is JSYPCACBFJQELY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-15-6-8-16(9-7-15)27(25,26)18(14-4-3-10-21-12-14)13-23-19(24)17-5-1-2-11-22-17/h1-12,18H,13H2,(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9155700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).