2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide

C13H19ClN4O — CID 115486117

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9-5-10(6-15)7-18(9)8-12(19)17-11-3-2-4-16-13(11)14/h2-4,9-10H,5-8,15H2,1H3,(H,17,19)
InChIKeyYATVYDNYWBBKMP-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.34
Rot. Bonds4

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 115486117) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID115486117
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9-5-10(6-15)7-18(9)8-12(19)17-11-3-2-4-16-13(11)14/h2-4,9-10H,5-8,15H2,1H3,(H,17,19)
InChIKeyYATVYDNYWBBKMP-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 115486277
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 103353022
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 115486113
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681343
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 95145263
N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
CID 56805855
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
CID 113320029
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 115486117) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is CC1CC(CN)CN1CC(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is YATVYDNYWBBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-5-10(6-15)7-18(9)8-12(19)17-11-3-2-4-16-13(11)14/h2-4,9-10H,5-8,15H2,1H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 115486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).