N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C16H19N3OS — CID 18167775

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C16H19N3OS/c1-19(2)11-13-7-4-3-6-12(13)10-18-15(20)14-8-5-9-17-16(14)21/h3-9H,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWOTFGAPORYBNBQ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.74
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 18167775) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID18167775
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C16H19N3OS/c1-19(2)11-13-7-4-3-6-12(13)10-18-15(20)14-8-5-9-17-16(14)21/h3-9H,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWOTFGAPORYBNBQ-UHFFFAOYSA-N
XLogP2.74
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(propoxymethyl)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87020647
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046467
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
N-(2-hydroxy-2-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111334735
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 18167775) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is CN(C)Cc1ccccc1CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is WOTFGAPORYBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(2)11-13-7-4-3-6-12(13)10-18-15(20)14-8-5-9-17-16(14)21/h3-9H,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18167775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).