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

C18H24N2O2S — CID 20670047

IUPACN-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
SMILESCS(=O)c1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2S/c1-23(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)
InChIKeyRIOFIRHOHRZKGV-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.77
Rot. Bonds4

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

N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide (PubChem CID 20670047) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
PubChem CID20670047
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
SMILESCS(=O)c1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2S/c1-23(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)
InChIKeyRIOFIRHOHRZKGV-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)pyridine-3-carboxamide
CID 145490475
N-(1-adamantylmethyl)-2-(2-aminoethylsulfanyl)pyridine-3-carboxamide
CID 20670020
N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 59579828
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051
N-(1-adamantyl)-2-benzylsulfinylpyridine-3-carboxamide
CID 57230991
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474036
N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59579870
N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
CID 59451925
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
tert-butyl 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-2-pyridinyl]amino]acetate
CID 69224502
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide (CID 20670047) is N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide is CS(=O)c1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide?
The InChIKey is RIOFIRHOHRZKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-23(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-methylsulfinylpyridine-3-carboxamide?
N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.77, 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-methylsulfinylpyridine-3-carboxamide is sourced from PubChem (CID 20670047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).