2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide

C22H21N3O2S — CID 25486041

IUPAC2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-15(16-9-4-3-5-10-16)24-20(26)17-11-6-7-13-19(17)25-21(27)18-12-8-14-23-22(18)28-2/h3-15H,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyJPRAVNCYSFZUSE-HNNXBMFYSA-N
MW391.50 g/mol
LogP4.55
Rot. Bonds6

About 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 25486041) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID25486041
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-15(16-9-4-3-5-10-16)24-20(26)17-11-6-7-13-19(17)25-21(27)18-12-8-14-23-22(18)28-2/h3-15H,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyJPRAVNCYSFZUSE-HNNXBMFYSA-N
XLogP4.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 25486041) is 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JPRAVNCYSFZUSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15(16-9-4-3-5-10-16)24-20(26)17-11-6-7-13-19(17)25-21(27)18-12-8-14-23-22(18)28-2/h3-15H,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1.
What are the key properties of 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25486041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).