N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C21H20N2OS — CID 9398159

IUPACN-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc[nH]c1=S
InChIInChI=1S/C21H20N2OS/c24-20(19-12-7-14-23-21(19)25)22-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,22,24)(H,23,25)
InChIKeyNZIOAILTCHOTQT-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.70
Rot. Bonds6

About N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 9398159) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID9398159
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc[nH]c1=S
InChIInChI=1S/C21H20N2OS/c24-20(19-12-7-14-23-21(19)25)22-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,22,24)(H,23,25)
InChIKeyNZIOAILTCHOTQT-UHFFFAOYSA-N
XLogP4.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054344
N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102560447
N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99696573
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38036526
N-[(2R)-2-phenylsulfanylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 96567887
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(2-hydroxy-2-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111334735

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 9398159) is N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc[nH]c1=S.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is NZIOAILTCHOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-20(19-12-7-14-23-21(19)25)22-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,22,24)(H,23,25).
What are the key properties of N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 9398159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).