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

C20H19N3O3S — CID 9154878

IUPACN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-7-9-17(10-8-15)27(25,26)19(16-5-4-11-21-13-16)14-23-20(24)18-6-2-3-12-22-18/h2-13,19H,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyFAAOYCGMRZCCAO-IBGZPJMESA-N
MW381.46 g/mol
LogP2.73
Rot. Bonds6

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

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (PubChem CID 9154878) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
PubChem CID9154878
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-7-9-17(10-8-15)27(25,26)19(16-5-4-11-21-13-16)14-23-20(24)18-6-2-3-12-22-18/h2-13,19H,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyFAAOYCGMRZCCAO-IBGZPJMESA-N
XLogP2.73
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9155700
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 16957784
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-(3-methoxypropyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155308
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (CID 9154878) is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The InChIKey is FAAOYCGMRZCCAO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-7-9-17(10-8-15)27(25,26)19(16-5-4-11-21-13-16)14-23-20(24)18-6-2-3-12-22-18/h2-13,19H,14H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.73, 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-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9154878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).