N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide

C18H24N2OS — CID 3362513

IUPACN-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2OS/c1-22-17-15(3-2-4-19-17)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-11H2,1H3,(H,20,21)
InChIKeyWECQPSRETWGYSU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.75
Rot. Bonds4

About N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide

N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 3362513) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID3362513
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2OS/c1-22-17-15(3-2-4-19-17)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-11H2,1H3,(H,20,21)
InChIKeyWECQPSRETWGYSU-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
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-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
CID 2505911
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
N-cyclooctyl-2-methylsulfanylpyridine-3-carboxamide
CID 8119543
N-cyclohexyl-N-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 60165516

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide (CID 3362513) is N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is WECQPSRETWGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-22-17-15(3-2-4-19-17)16(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-11H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 3362513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).