N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

C17H19N3OS — CID 125164990

IUPACN-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H](c1cccc(C)n1)C1CC1
InChIInChI=1S/C17H19N3OS/c1-11-5-3-7-14(19-11)15(12-8-9-12)20-16(21)13-6-4-10-18-17(13)22-2/h3-7,10,12,15H,8-9H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyDSCDDWWMUDHYAT-OAHLLOKOSA-N
MW313.43 g/mol
LogP3.39
Rot. Bonds5

About N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 125164990) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID125164990
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H](c1cccc(C)n1)C1CC1
InChIInChI=1S/C17H19N3OS/c1-11-5-3-7-14(19-11)15(12-8-9-12)20-16(21)13-6-4-10-18-17(13)22-2/h3-7,10,12,15H,8-9H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyDSCDDWWMUDHYAT-OAHLLOKOSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 125164990) is N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H](c1cccc(C)n1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is DSCDDWWMUDHYAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-5-3-7-14(19-11)15(12-8-9-12)20-16(21)13-6-4-10-18-17(13)22-2/h3-7,10,12,15H,8-9H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 125164990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).