2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide

C15H17N3OS — CID 99927418

IUPAC2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H](C)Cc1cccnc1
InChIInChI=1S/C15H17N3OS/c1-11(9-12-5-3-7-16-10-12)18-14(19)13-6-4-8-17-15(13)20-2/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyATMSEVRSOTTYGI-NSHDSACASA-N
MW287.39 g/mol
LogP2.56
Rot. Bonds5

About 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 99927418) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
PubChem CID99927418
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H](C)Cc1cccnc1
InChIInChI=1S/C15H17N3OS/c1-11(9-12-5-3-7-16-10-12)18-14(19)13-6-4-8-17-15(13)20-2/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyATMSEVRSOTTYGI-NSHDSACASA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 16563602
5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42465328
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63008606

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide (CID 99927418) is 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H](C)Cc1cccnc1.
What is the InChIKey of 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is ATMSEVRSOTTYGI-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(9-12-5-3-7-16-10-12)18-14(19)13-6-4-8-17-15(13)20-2/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99927418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).