N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C18H23N3O2S — CID 125023241

IUPACN-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-19-18(22)17-6-2-4-15(20-17)10-14-11-21(7-8-23-13-14)12-16-5-3-9-24-16/h2-6,9,14H,7-8,10-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyYWSPCFQGSQVSIS-AWEZNQCLSA-N
MW345.47 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 125023241) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID125023241
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-19-18(22)17-6-2-4-15(20-17)10-14-11-21(7-8-23-13-14)12-16-5-3-9-24-16/h2-6,9,14H,7-8,10-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyYWSPCFQGSQVSIS-AWEZNQCLSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-6-[[(6R)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023242
N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110269716
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95841014
4-[[(6S)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]phenol
CID 95847976
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458
6-[[(6S)-4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95842641
(6S)-4-(1H-imidazol-5-ylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 95847960
1-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110115319
1-[(6R)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124947144
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 125023241) is N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is CNC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1.
What is the InChIKey of N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is YWSPCFQGSQVSIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-19-18(22)17-6-2-4-15(20-17)10-14-11-21(7-8-23-13-14)12-16-5-3-9-24-16/h2-6,9,14H,7-8,10-13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 125023241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).