N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide

C16H25N3O5S — CID 124830855

IUPACN-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide
SMILESCOc1ncccc1C(=O)N1CCOC[C@H](CCNS(C)(=O)=O)[C@H]1C
InChIInChI=1S/C16H25N3O5S/c1-12-13(6-8-18-25(3,21)22)11-24-10-9-19(12)16(20)14-5-4-7-17-15(14)23-2/h4-5,7,12-13,18H,6,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyIJWQSAMMSFQSKK-OLZOCXBDSA-N
MW371.46 g/mol
LogP0.51
Rot. Bonds6

About N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide

N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide (PubChem CID 124830855) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide
PubChem CID124830855
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide
SMILESCOc1ncccc1C(=O)N1CCOC[C@H](CCNS(C)(=O)=O)[C@H]1C
InChIInChI=1S/C16H25N3O5S/c1-12-13(6-8-18-25(3,21)22)11-24-10-9-19(12)16(20)14-5-4-7-17-15(14)23-2/h4-5,7,12-13,18H,6,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyIJWQSAMMSFQSKK-OLZOCXBDSA-N
XLogP0.51
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[(5S,6S)-5-methyl-4-(1-methylpyrrole-2-carbonyl)-1,4-oxazepan-6-yl]ethyl]methanesulfonamide
CID 124818195
N-[[(3S,3aR,6aR)-5-(2-methoxypyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124795081
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
[2-(methylamino)-3-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62168003
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083487

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide (CID 124830855) is N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide is COc1ncccc1C(=O)N1CCOC[C@H](CCNS(C)(=O)=O)[C@H]1C.
What is the InChIKey of N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide?
The InChIKey is IJWQSAMMSFQSKK-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-12-13(6-8-18-25(3,21)22)11-24-10-9-19(12)16(20)14-5-4-7-17-15(14)23-2/h4-5,7,12-13,18H,6,8-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide?
N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5R,6R)-4-(2-methoxypyridine-3-carbonyl)-5-methyl-1,4-oxazepan-6-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124830855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).