3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide

C14H21N3O2 — CID 124753837

IUPAC3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
SMILESC[C@H]1CN(CCC(=O)Nc2cccnc2)CCCO1
InChIInChI=1S/C14H21N3O2/c1-12-11-17(7-3-9-19-12)8-5-14(18)16-13-4-2-6-15-10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyMSURDZLHXSMUEE-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds4

About 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide

3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide (PubChem CID 124753837) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
PubChem CID124753837
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
SMILESC[C@H]1CN(CCC(=O)Nc2cccnc2)CCCO1
InChIInChI=1S/C14H21N3O2/c1-12-11-17(7-3-9-19-12)8-5-14(18)16-13-4-2-6-15-10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyMSURDZLHXSMUEE-LBPRGKRZSA-N
XLogP1.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
CID 124749555
3-(2-methylmorpholin-4-yl)-N-naphthalen-1-ylpropanamide
CID 46683190
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
CID 110614432
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91839263
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide (CID 124753837) is 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide is C[C@H]1CN(CCC(=O)Nc2cccnc2)CCCO1.
What is the InChIKey of 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is MSURDZLHXSMUEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-11-17(7-3-9-19-12)8-5-14(18)16-13-4-2-6-15-10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide?
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 124753837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).