(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone

C12H17N3O2 — CID 94908396

IUPAC(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc(N)n2)CCCO1
InChIInChI=1S/C12H17N3O2/c1-9-8-15(6-3-7-17-9)12(16)10-4-2-5-11(13)14-10/h2,4-5,9H,3,6-8H2,1H3,(H2,13,14)/t9-/m0/s1
InChIKeyBUHZAJQWGIXLBA-VIFPVBQESA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds1

About (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone

(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone (PubChem CID 94908396) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
PubChem CID94908396
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc(N)n2)CCCO1
InChIInChI=1S/C12H17N3O2/c1-9-8-15(6-3-7-17-9)12(16)10-4-2-5-11(13)14-10/h2,4-5,9H,3,6-8H2,1H3,(H2,13,14)/t9-/m0/s1
InChIKeyBUHZAJQWGIXLBA-VIFPVBQESA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone with MolForge

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Related Compounds

(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62238786
(1-chloroisoquinolin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62974868
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113418713
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone (CID 94908396) is (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone is C[C@H]1CN(C(=O)c2cccc(N)n2)CCCO1.
What is the InChIKey of (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone?
The InChIKey is BUHZAJQWGIXLBA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-8-15(6-3-7-17-9)12(16)10-4-2-5-11(13)14-10/h2,4-5,9H,3,6-8H2,1H3,(H2,13,14)/t9-/m0/s1.
What are the key properties of (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone?
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 94908396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).