N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C18H23N3OS — CID 25482491

IUPACN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1
InChIInChI=1S/C18H23N3OS/c1-3-21(4-2)16(14-9-6-5-7-10-14)13-20-17(22)15-11-8-12-19-18(15)23/h5-12,16H,3-4,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m1/s1
InChIKeyORPYAJOIXUXNGD-MRXNPFEDSA-N
MW329.47 g/mol
LogP3.56
Rot. Bonds7

About N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 25482491) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID25482491
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1
InChIInChI=1S/C18H23N3OS/c1-3-21(4-2)16(14-9-6-5-7-10-14)13-20-17(22)15-11-8-12-19-18(15)23/h5-12,16H,3-4,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m1/s1
InChIKeyORPYAJOIXUXNGD-MRXNPFEDSA-N
XLogP3.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.56
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-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
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-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159
N-[(2R)-2-phenylsulfanylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 96567887
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111422579
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 25482491) is N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is CCN(CC)[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ORPYAJOIXUXNGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-21(4-2)16(14-9-6-5-7-10-14)13-20-17(22)15-11-8-12-19-18(15)23/h5-12,16H,3-4,13H2,1-2H3,(H,19,23)(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25482491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).