N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C12H18N2O2S — CID 38036526

IUPACN-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C12H18N2O2S/c1-9(2)16-8-4-7-13-11(15)10-5-3-6-14-12(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyZFYPJFQZIGNMPL-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.29
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 38036526) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID38036526
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C12H18N2O2S/c1-9(2)16-8-4-7-13-11(15)10-5-3-6-14-12(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyZFYPJFQZIGNMPL-UHFFFAOYSA-N
XLogP2.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-(3-phenylsulfanylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054344
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 38036526) is N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CC(C)OCCCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ZFYPJFQZIGNMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)16-8-4-7-13-11(15)10-5-3-6-14-12(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38036526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).