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

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).