N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide

C17H25N3O3 — CID 50982736

IUPACN-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide
SMILESCOc1ccnc(CN2CCC=C(C(C)NC(C)=O)C2)c1OC
InChIInChI=1S/C17H25N3O3/c1-12(19-13(2)21)14-6-5-9-20(10-14)11-15-17(23-4)16(22-3)7-8-18-15/h6-8,12H,5,9-11H2,1-4H3,(H,19,21)
InChIKeyCTKKKFUURCVUIF-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.76
Rot. Bonds6

About N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide

N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide (PubChem CID 50982736) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide
PubChem CID50982736
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide
SMILESCOc1ccnc(CN2CCC=C(C(C)NC(C)=O)C2)c1OC
InChIInChI=1S/C17H25N3O3/c1-12(19-13(2)21)14-6-5-9-20(10-14)11-15-17(23-4)16(22-3)7-8-18-15/h6-8,12H,5,9-11H2,1-4H3,(H,19,21)
InChIKeyCTKKKFUURCVUIF-UHFFFAOYSA-N
XLogP1.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide (CID 50982736) is N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide is COc1ccnc(CN2CCC=C(C(C)NC(C)=O)C2)c1OC.
What is the InChIKey of N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide?
The InChIKey is CTKKKFUURCVUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(19-13(2)21)14-6-5-9-20(10-14)11-15-17(23-4)16(22-3)7-8-18-15/h6-8,12H,5,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide?
N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 50982736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).