(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide

C16H12ClN5OS — CID 8940644

IUPAC(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
SMILESC[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN5OS/c1-9(15(23)21-13-5-3-2-4-12(13)17)24-16-11(8-19)6-10(7-18)14(20)22-16/h2-6,9H,1H3,(H2,20,22)(H,21,23)/t9-/m0/s1
InChIKeyUDZWEOVIQFZFLK-VIFPVBQESA-N
MW357.83 g/mol
LogP3.18
Rot. Bonds4

About (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide

(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide (PubChem CID 8940644) has the molecular formula C16H12ClN5OS and a molecular weight of 357.83 g/mol. Its IUPAC name is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
PubChem CID8940644
Molecular FormulaC16H12ClN5OS
Molecular Weight357.83 g/mol
Exact Mass357.05
IUPAC Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
SMILESC[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN5OS/c1-9(15(23)21-13-5-3-2-4-12(13)17)24-16-11(8-19)6-10(7-18)14(20)22-16/h2-6,9H,1H3,(H2,20,22)(H,21,23)/t9-/m0/s1
InChIKeyUDZWEOVIQFZFLK-VIFPVBQESA-N
XLogP3.18
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)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

ethyl 6-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate
CID 43015227
(2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8940726
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 8940806
2-amino-6-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 55369002
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23886612
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
3-[2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoylamino]-4-chlorobenzoic acid
CID 23772514
2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-cyanophenyl)propanamide
CID 2470642
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 9160683
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424
N-(2-chlorophenyl)-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]butanamide
CID 23998145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide (CID 8940644) is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide is C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide?
The InChIKey is UDZWEOVIQFZFLK-VIFPVBQESA-N. The full InChI is InChI=1S/C16H12ClN5OS/c1-9(15(23)21-13-5-3-2-4-12(13)17)24-16-11(8-19)6-10(7-18)14(20)22-16/h2-6,9H,1H3,(H2,20,22)(H,21,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide?
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide has a molecular weight of 357.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 8940644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).