N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C18H20N2OS — CID 163492328

IUPACN-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC2CCCC2)cc1)c1ccc[nH]c1=S
InChIInChI=1S/C18H20N2OS/c21-17(16-6-3-11-19-18(16)22)20-15-9-7-14(8-10-15)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,19,22)(H,20,21)
InChIKeyJLFKTHJVWDHWSJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.73
Rot. Bonds4

About N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 163492328) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID163492328
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC2CCCC2)cc1)c1ccc[nH]c1=S
InChIInChI=1S/C18H20N2OS/c21-17(16-6-3-11-19-18(16)22)20-15-9-7-14(8-10-15)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,19,22)(H,20,21)
InChIKeyJLFKTHJVWDHWSJ-UHFFFAOYSA-N
XLogP4.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.73
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-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37395388
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 36599096
4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
CID 58930422
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37243915
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38582791

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 163492328) is N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1ccc(CC2CCCC2)cc1)c1ccc[nH]c1=S.
What is the InChIKey of N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is JLFKTHJVWDHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(16-6-3-11-19-18(16)22)20-15-9-7-14(8-10-15)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 163492328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).