2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

C15H21N3O — CID 116676557

IUPAC2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)C(C)C)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-11(2)18(10-14-6-4-5-7-17-14)15(19)12(3)13-8-16-9-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyFHTSSYTZQKQQHX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.74
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 116676557) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID116676557
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)C(C)C)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-11(2)18(10-14-6-4-5-7-17-14)15(19)12(3)13-8-16-9-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyFHTSSYTZQKQQHX-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 116676715
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 81129457
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 60947405

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (CID 116676557) is 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)N(Cc1ccccn1)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is FHTSSYTZQKQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18(10-14-6-4-5-7-17-14)15(19)12(3)13-8-16-9-13/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.74, 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-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 116676557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).