(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide

C17H21N3OS — CID 97079268

IUPAC(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1
InChIInChI=1S/C17H21N3OS/c1-12(2)16(14-8-4-6-10-18-14)20-17(21)13(3)22-15-9-5-7-11-19-15/h4-13,16H,1-3H3,(H,20,21)/t13-,16+/m1/s1
InChIKeyZIVKPKIPUZOIBN-CJNGLKHVSA-N
MW315.44 g/mol
LogP3.47
Rot. Bonds6

About (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 97079268) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID97079268
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1
InChIInChI=1S/C17H21N3OS/c1-12(2)16(14-8-4-6-10-18-14)20-17(21)13(3)22-15-9-5-7-11-19-15/h4-13,16H,1-3H3,(H,20,21)/t13-,16+/m1/s1
InChIKeyZIVKPKIPUZOIBN-CJNGLKHVSA-N
XLogP3.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
CID 3954885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide (CID 97079268) is (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide is CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1.
What is the InChIKey of (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is ZIVKPKIPUZOIBN-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(2)16(14-8-4-6-10-18-14)20-17(21)13(3)22-15-9-5-7-11-19-15/h4-13,16H,1-3H3,(H,20,21)/t13-,16+/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 97079268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).