2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide

C23H18N7O3S+ — CID 53295535

IUPAC2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2c(=O)o[nH][n+]2C)c1C#N)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H17N7O3S/c1-12(21(31)27-15-8-7-13-5-3-4-6-14(13)9-15)34-22-17(11-25)18(16(10-24)20(26)28-22)19-23(32)33-29-30(19)2/h3-9,12H,1-2H3,(H3-,26,27,28,29,31,32)/p+1
InChIKeyNUZQEMZPWAFSNO-UHFFFAOYSA-O
MW472.51 g/mol
LogP2.45
Rot. Bonds5

About 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide

2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 53295535) has the molecular formula C23H18N7O3S+ and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide
PubChem CID53295535
Molecular FormulaC23H18N7O3S+
Molecular Weight472.51 g/mol
Exact Mass472.12
IUPAC Name2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2c(=O)o[nH][n+]2C)c1C#N)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H17N7O3S/c1-12(21(31)27-15-8-7-13-5-3-4-6-14(13)9-15)34-22-17(11-25)18(16(10-24)20(26)28-22)19-23(32)33-29-30(19)2/h3-9,12H,1-2H3,(H3-,26,27,28,29,31,32)/p+1
InChIKeyNUZQEMZPWAFSNO-UHFFFAOYSA-O
XLogP2.45
TPSA165.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide 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

2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 53295475
3,6-diamino-5-cyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-N-naphthalen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 53295911
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 53296228
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23942614
4-[2-amino-6-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanyl-3,5-dicyano-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295482
N-naphthalen-2-yl-2-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide
CID 53292036
4-[2-amino-3,5-dicyano-6-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanyl-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295434
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3-chlorophenyl)propanamide
CID 23970568
butyl 4-[[2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 53296316
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide
CID 23858814
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 53296210
3-[2-[(6-amino-3,5-dicyano-4-thiophen-3-yl-2-pyridinyl)sulfanyl]propanoylamino]benzoic acid
CID 23970606

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide (CID 53295535) is 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide is CC(Sc1nc(N)c(C#N)c(-c2c(=O)o[nH][n+]2C)c1C#N)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide?
The InChIKey is NUZQEMZPWAFSNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17N7O3S/c1-12(21(31)27-15-8-7-13-5-3-4-6-14(13)9-15)34-22-17(11-25)18(16(10-24)20(26)28-22)19-23(32)33-29-30(19)2/h3-9,12H,1-2H3,(H3-,26,27,28,29,31,32)/p+1.
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide?
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 472.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 53295535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).