1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide

C10H16N2OS — CID 141330980

IUPAC1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCC(C)CN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2OS/c1-7(2)6-12-5-3-4-8(9(11)13)10(12)14/h3-5,7,10,14H,6H2,1-2H3,(H2,11,13)
InChIKeyIOZPNBXMMRUBCL-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide

1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330980) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330980
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCC(C)CN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C10H16N2OS/c1-7(2)6-12-5-3-4-8(9(11)13)10(12)14/h3-5,7,10,14H,6H2,1-2H3,(H2,11,13)
InChIKeyIOZPNBXMMRUBCL-UHFFFAOYSA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
1-prop-2-enyl-2H-pyridine-3-carboxamide
CID 67500778
1,1-dimethyl-2H-pyridin-1-ium-3-carboxamide
CID 87422649
1,1-diethyl-2H-pyridin-1-ium-3-carboxamide
CID 87720066
2-Sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 140521952
1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330975

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330980) is 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is CC(C)CN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is IOZPNBXMMRUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)6-12-5-3-4-8(9(11)13)10(12)14/h3-5,7,10,14H,6H2,1-2H3,(H2,11,13).
What are the key properties of 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).