3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide

C19H29N3O2 — CID 119063763

IUPAC3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCc1cccc(=O)[nH]1
InChIInChI=1S/C19H29N3O2/c23-18(20-12-11-16-6-3-8-19(24)21-16)10-9-15-5-4-14-22-13-2-1-7-17(15)22/h3,6,8,15,17H,1-2,4-5,7,9-14H2,(H,20,23)(H,21,24)/t15-,17+/m0/s1
InChIKeyYGDGJQMVNCXPIZ-DOTOQJQBSA-N
MW331.46 g/mol
LogP2.08
Rot. Bonds6

About 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide

3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide (PubChem CID 119063763) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide
PubChem CID119063763
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCc1cccc(=O)[nH]1
InChIInChI=1S/C19H29N3O2/c23-18(20-12-11-16-6-3-8-19(24)21-16)10-9-15-5-4-14-22-13-2-1-7-17(15)22/h3,6,8,15,17H,1-2,4-5,7,9-14H2,(H,20,23)(H,21,24)/t15-,17+/m0/s1
InChIKeyYGDGJQMVNCXPIZ-DOTOQJQBSA-N
XLogP2.08
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide?
The IUPAC name of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide (CID 119063763) is 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide is O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCc1cccc(=O)[nH]1.
What is the InChIKey of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide?
The InChIKey is YGDGJQMVNCXPIZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(20-12-11-16-6-3-8-19(24)21-16)10-9-15-5-4-14-22-13-2-1-7-17(15)22/h3,6,8,15,17H,1-2,4-5,7,9-14H2,(H,20,23)(H,21,24)/t15-,17+/m0/s1.
What are the key properties of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide?
3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]propanamide is sourced from PubChem (CID 119063763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).