2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C15H21N3O — CID 116678469

IUPAC2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-4-18(10-14-7-5-6-11(2)17-14)15(19)12(3)13-8-16-9-13/h5-7,16H,4,8-10H2,1-3H3
InChIKeyMGSWFRBKZSRRIZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.66
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide

2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 116678469) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID116678469
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-4-18(10-14-7-5-6-11(2)17-14)15(19)12(3)13-8-16-9-13/h5-7,16H,4,8-10H2,1-3H3
InChIKeyMGSWFRBKZSRRIZ-UHFFFAOYSA-N
XLogP1.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893379
2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 116676715
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-propan-2-ylthiourea
CID 113254044
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81155694
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 116678469) is 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide is CCN(Cc1cccc(C)n1)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is MGSWFRBKZSRRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(10-14-7-5-6-11(2)17-14)15(19)12(3)13-8-16-9-13/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 116678469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).