1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone

C16H26N2O — CID 139470966

IUPAC1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone
SMILESCCC1CC[C@@H](C)N(C(=O)C2=CC=CNC2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-4-14-8-7-12(2)18(13(3)10-14)16(19)15-6-5-9-17-11-15/h5-6,9,12-14,17H,4,7-8,10-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyUHYNXPXMFNICTA-IYXRBSQSSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds2

About 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone

1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone (PubChem CID 139470966) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone.

Molecular Properties

Compound Name1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone
PubChem CID139470966
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone
SMILESCCC1CC[C@@H](C)N(C(=O)C2=CC=CNC2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-4-14-8-7-12(2)18(13(3)10-14)16(19)15-6-5-9-17-11-15/h5-6,9,12-14,17H,4,7-8,10-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyUHYNXPXMFNICTA-IYXRBSQSSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone?
The IUPAC name of 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone (CID 139470966) is 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone.
What is the SMILES notation for 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone?
The canonical SMILES for 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone is CCC1CC[C@@H](C)N(C(=O)C2=CC=CNC2)C(C)C1.
What is the InChIKey of 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone?
The InChIKey is UHYNXPXMFNICTA-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-8-7-12(2)18(13(3)10-14)16(19)15-6-5-9-17-11-15/h5-6,9,12-14,17H,4,7-8,10-11H2,1-3H3/t12-,13?,14?/m1/s1.
What are the key properties of 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone?
1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone has a molecular weight of 262.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone is sourced from PubChem (CID 139470966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).