N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine

C13H19Cl2N3 — CID 116519800

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cnc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H19Cl2N3/c1-2-5-18(11-3-4-16-8-11)9-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyTWBCQYHJOYMBCX-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.96
Rot. Bonds5

About N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine

N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 116519800) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID116519800
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cnc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H19Cl2N3/c1-2-5-18(11-3-4-16-8-11)9-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyTWBCQYHJOYMBCX-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine 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

N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
methyl 4-chloro-3-[[propyl(pyrrolidin-3-yl)amino]methyl]benzoate
CID 120838250
3-chloro-4-[[piperidin-3-yl(propyl)amino]methyl]benzonitrile
CID 102669224
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine (CID 116519800) is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1cnc(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is TWBCQYHJOYMBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-2-5-18(11-3-4-16-8-11)9-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3.
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 288.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 116519800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).