N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide

C15H21N3O2S — CID 138030152

IUPACN-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide
SMILESCSC1CCCCN(C(=O)c2ccncc2NC(C)=O)C1
InChIInChI=1S/C15H21N3O2S/c1-11(19)17-14-9-16-7-6-13(14)15(20)18-8-4-3-5-12(10-18)21-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyCZLFUQOGXOYSSV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.40
Rot. Bonds3

About N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide

N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide (PubChem CID 138030152) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide
PubChem CID138030152
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide
SMILESCSC1CCCCN(C(=O)c2ccncc2NC(C)=O)C1
InChIInChI=1S/C15H21N3O2S/c1-11(19)17-14-9-16-7-6-13(14)15(20)18-8-4-3-5-12(10-18)21-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyCZLFUQOGXOYSSV-UHFFFAOYSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105070810
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(3-hydrazinyl-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 105072540
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
(3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-methylsulfanylazepane-1-carboxamide
CID 124591823
(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)-(3-methylsulfanylazepan-1-yl)methanone
CID 102560391
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 81241615
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
[3-(dimethylamino)pyrrolidin-1-yl]-[3-(propylamino)-4-pyridinyl]methanone
CID 105070018

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide (CID 138030152) is N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide is CSC1CCCCN(C(=O)c2ccncc2NC(C)=O)C1.
What is the InChIKey of N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is CZLFUQOGXOYSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(19)17-14-9-16-7-6-13(14)15(20)18-8-4-3-5-12(10-18)21-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide?
N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylsulfanylazepane-1-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 138030152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).