(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

C17H20ClN3OS — CID 51924065

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
SMILESCSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H20ClN3OS/c1-12(17(22)20-16-9-6-14(18)10-19-16)21(2)11-13-4-7-15(23-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,19,20,22)/t12-/m1/s1
InChIKeyFYGORMNWZMZKGN-GFCCVEGCSA-N
MW349.89 g/mol
LogP3.92
Rot. Bonds6

About (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide (PubChem CID 51924065) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
PubChem CID51924065
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
SMILESCSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H20ClN3OS/c1-12(17(22)20-16-9-6-14(18)10-19-16)21(2)11-13-4-7-15(23-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,19,20,22)/t12-/m1/s1
InChIKeyFYGORMNWZMZKGN-GFCCVEGCSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2439515
(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594722
1-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanylphenyl)methyl]thiourea
CID 24741035
N-(1,3-benzothiazol-2-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 42962067
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25491326
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide (CID 51924065) is (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide is CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The InChIKey is FYGORMNWZMZKGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-12(17(22)20-16-9-6-14(18)10-19-16)21(2)11-13-4-7-15(23-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide has a molecular weight of 349.89 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 51924065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).