N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide

C19H18N4OS — CID 155005478

IUPACN-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2cnc(C)c(NSc3ccccc3)c2)c1
InChIInChI=1S/C19H18N4OS/c1-13-19(23-25-18-6-4-3-5-7-18)9-16(11-21-13)15-8-17(12-20-10-15)22-14(2)24/h3-12,23H,1-2H3,(H,22,24)
InChIKeyUYXKTTGOEGUQON-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.53
Rot. Bonds5

About N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide

N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide (PubChem CID 155005478) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide
PubChem CID155005478
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2cnc(C)c(NSc3ccccc3)c2)c1
InChIInChI=1S/C19H18N4OS/c1-13-19(23-25-18-6-4-3-5-7-18)9-16(11-21-13)15-8-17(12-20-10-15)22-14(2)24/h3-12,23H,1-2H3,(H,22,24)
InChIKeyUYXKTTGOEGUQON-UHFFFAOYSA-N
XLogP4.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-5-pyridin-3-yl-3-pyridinyl)acetamide
CID 176579518
N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide
CID 155005513
[5-(6-amino-3-pyridinyl)-3-pyridinyl]carbamic acid
CID 118165553
N-(5-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 110742204
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide
CID 144889445
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
CID 110713731
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide (CID 155005478) is N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2cnc(C)c(NSc3ccccc3)c2)c1.
What is the InChIKey of N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide?
The InChIKey is UYXKTTGOEGUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-19(23-25-18-6-4-3-5-7-18)9-16(11-21-13)15-8-17(12-20-10-15)22-14(2)24/h3-12,23H,1-2H3,(H,22,24).
What are the key properties of N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide?
N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide has a molecular weight of 350.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 155005478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).