2-(1-adamantylsulfanyl)pyridine-3-carboxamide

C16H20N2OS — CID 13466159

IUPAC2-(1-adamantylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2OS/c17-14(19)13-2-1-3-18-15(13)20-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H2,17,19)
InChIKeyXKAQDUPVXCLLMT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.24
Rot. Bonds3

About 2-(1-adamantylsulfanyl)pyridine-3-carboxamide

2-(1-adamantylsulfanyl)pyridine-3-carboxamide (PubChem CID 13466159) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)pyridine-3-carboxamide
PubChem CID13466159
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(1-adamantylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2OS/c17-14(19)13-2-1-3-18-15(13)20-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H2,17,19)
InChIKeyXKAQDUPVXCLLMT-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
Nicotinamide, N-(1-adamantyl)-
CID 64196
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
N-cyclohexyl-N-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 60165516
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-propylsulfanylpyridine-3-carboxamide
CID 60165656
N-[(1R,3S)-5-hydroxy-2-adamantyl]-N-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 60165657
N-(3,5-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997962
N-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10403803
6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 44775716

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-adamantylsulfanyl)pyridine-3-carboxamide (CID 13466159) is 2-(1-adamantylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)pyridine-3-carboxamide is NC(=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylsulfanyl)pyridine-3-carboxamide?
The InChIKey is XKAQDUPVXCLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-14(19)13-2-1-3-18-15(13)20-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H2,17,19).
What are the key properties of 2-(1-adamantylsulfanyl)pyridine-3-carboxamide?
2-(1-adamantylsulfanyl)pyridine-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 13466159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).