2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide

C16H27N5O — CID 134079918

IUPAC2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide
SMILESCC1NNC(C)C1C(N)C(=O)NCCCCc1ccccn1
InChIInChI=1S/C16H27N5O/c1-11-14(12(2)21-20-11)15(17)16(22)19-10-6-4-8-13-7-3-5-9-18-13/h3,5,7,9,11-12,14-15,20-21H,4,6,8,10,17H2,1-2H3,(H,19,22)
InChIKeyPXDAXMHDWZSHQM-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.35
Rot. Bonds7

About 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide

2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide (PubChem CID 134079918) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide
PubChem CID134079918
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide
SMILESCC1NNC(C)C1C(N)C(=O)NCCCCc1ccccn1
InChIInChI=1S/C16H27N5O/c1-11-14(12(2)21-20-11)15(17)16(22)19-10-6-4-8-13-7-3-5-9-18-13/h3,5,7,9,11-12,14-15,20-21H,4,6,8,10,17H2,1-2H3,(H,19,22)
InChIKeyPXDAXMHDWZSHQM-UHFFFAOYSA-N
XLogP0.35
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide (CID 134079918) is 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide is CC1NNC(C)C1C(N)C(=O)NCCCCc1ccccn1.
What is the InChIKey of 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide?
The InChIKey is PXDAXMHDWZSHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-11-14(12(2)21-20-11)15(17)16(22)19-10-6-4-8-13-7-3-5-9-18-13/h3,5,7,9,11-12,14-15,20-21H,4,6,8,10,17H2,1-2H3,(H,19,22).
What are the key properties of 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide?
2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide is sourced from PubChem (CID 134079918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).