N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide

C18H25N3O2S — CID 42463239

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H25N3O2S/c1-24-18-15(9-6-10-19-18)17(23)20-13-11-16(22)21(12-13)14-7-4-2-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyRQNAOTFFOZVMLN-CYBMUJFWSA-N
MW347.48 g/mol
LogP2.86
Rot. Bonds4

About N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 42463239) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID42463239
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H25N3O2S/c1-24-18-15(9-6-10-19-18)17(23)20-13-11-16(22)21(12-13)14-7-4-2-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyRQNAOTFFOZVMLN-CYBMUJFWSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
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CID 124783105
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 95304804
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 138992055
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 25446356
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 45228021

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 42463239) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RQNAOTFFOZVMLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-24-18-15(9-6-10-19-18)17(23)20-13-11-16(22)21(12-13)14-7-4-2-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 42463239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).