N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide

C16H24N2O2S — CID 42961801

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C16H24N2O2S/c1-12-6-3-4-8-14(12)20-11-10-17-15(19)13-7-5-9-18-16(13)21-2/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyMQWYYQXHKVJIRA-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 42961801) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID42961801
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C16H24N2O2S/c1-12-6-3-4-8-14(12)20-11-10-17-15(19)13-7-5-9-18-16(13)21-2/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyMQWYYQXHKVJIRA-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-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-(3-methoxy-2-pyridinyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 124738201
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210
2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 112832848
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
CID 55849532
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71895393
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 124783105

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 42961801) is N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCCOC1CCCCC1C.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is MQWYYQXHKVJIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-6-3-4-8-14(12)20-11-10-17-15(19)13-7-5-9-18-16(13)21-2/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 42961801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).