N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide

C14H21N3OS — CID 75503755

IUPACN-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
SMILESCSC1CCCCN(C(=O)Nc2cc(C)ccn2)C1
InChIInChI=1S/C14H21N3OS/c1-11-6-7-15-13(9-11)16-14(18)17-8-4-3-5-12(10-17)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16,18)
InChIKeyBFWQFKZNRRATMH-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.14
Rot. Bonds2

About N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide

N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide (PubChem CID 75503755) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
PubChem CID75503755
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
SMILESCSC1CCCCN(C(=O)Nc2cc(C)ccn2)C1
InChIInChI=1S/C14H21N3OS/c1-11-6-7-15-13(9-11)16-14(18)17-8-4-3-5-12(10-17)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16,18)
InChIKeyBFWQFKZNRRATMH-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
4-[2-(methylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 75503757
(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
CID 90467457
(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
CID 100702386
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935
(3S)-N-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]-3-methylsulfanylazepane-1-carboxamide
CID 124621844
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
(3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-methylsulfanylazepane-1-carboxamide
CID 124591823
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide (CID 75503755) is N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide is CSC1CCCCN(C(=O)Nc2cc(C)ccn2)C1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide?
The InChIKey is BFWQFKZNRRATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-6-7-15-13(9-11)16-14(18)17-8-4-3-5-12(10-17)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide?
N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide is sourced from PubChem (CID 75503755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).