3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide

C17H29N5O — CID 4772295

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide
SMILESCc1cc(C)n(CCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C17H29N5O/c1-12-9-13(2)22(20-12)8-7-15(23)19-18-14-10-16(3,4)21-17(5,6)11-14/h9,21H,7-8,10-11H2,1-6H3,(H,19,23)
InChIKeyIIMNOQRAWWLQJS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.30
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide (PubChem CID 4772295) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide
PubChem CID4772295
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide
SMILESCc1cc(C)n(CCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C17H29N5O/c1-12-9-13(2)22(20-12)8-7-15(23)19-18-14-10-16(3,4)21-17(5,6)11-14/h9,21H,7-8,10-11H2,1-6H3,(H,19,23)
InChIKeyIIMNOQRAWWLQJS-UHFFFAOYSA-N
XLogP2.30
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 4854182
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CID 115445107
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 917196
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 5418862
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide (CID 4772295) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide is Cc1cc(C)n(CCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide?
The InChIKey is IIMNOQRAWWLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-9-13(2)22(20-12)8-7-15(23)19-18-14-10-16(3,4)21-17(5,6)11-14/h9,21H,7-8,10-11H2,1-6H3,(H,19,23).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide is sourced from PubChem (CID 4772295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).