N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide

C17H24N2OS — CID 124783105

IUPACN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C17H24N2OS/c1-21-17-15(7-4-10-18-17)16(20)19-14-9-8-12-5-2-3-6-13(12)11-14/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyLYMFDKQGHGCBEN-HZSPNIEDSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds3

About N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 124783105) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID124783105
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C17H24N2OS/c1-21-17-15(7-4-10-18-17)16(20)19-14-9-8-12-5-2-3-6-13(12)11-14/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyLYMFDKQGHGCBEN-HZSPNIEDSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
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N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 42463239
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 98296051
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765308
N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42961801
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
CID 15994001

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 124783105) is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1.
What is the InChIKey of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is LYMFDKQGHGCBEN-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-21-17-15(7-4-10-18-17)16(20)19-14-9-8-12-5-2-3-6-13(12)11-14/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 124783105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).