N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide

C16H25N3O — CID 107148478

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCN(C(=O)Cc1ncccc1C)C1CCCC1CN
InChIInChI=1S/C16H25N3O/c1-3-19(15-8-4-7-13(15)11-17)16(20)10-14-12(2)6-5-9-18-14/h5-6,9,13,15H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyKXQUEZQTMSJBGH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148478) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148478
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCN(C(=O)Cc1ncccc1C)C1CCCC1CN
InChIInChI=1S/C16H25N3O/c1-3-19(15-8-4-7-13(15)11-17)16(20)10-14-12(2)6-5-9-18-14/h5-6,9,13,15H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyKXQUEZQTMSJBGH-UHFFFAOYSA-N
XLogP1.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148477
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148503
N-ethyl-2-(3-methyl-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 107148587
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide
CID 114753235
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
[2-[(3-methyl-2-pyridinyl)methoxymethyl]cyclohexyl]methanamine
CID 112650781
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide (CID 107148478) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide is CCN(C(=O)Cc1ncccc1C)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is KXQUEZQTMSJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(15-8-4-7-13(15)11-17)16(20)10-14-12(2)6-5-9-18-14/h5-6,9,13,15H,3-4,7-8,10-11,17H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).