N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide

C13H19Cl2N5 — CID 119114518

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C13H19Cl2N5/c1-16-13(20-6-2-3-7-20)18-5-4-17-12-11(15)8-10(14)9-19-12/h8-9H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyRMMCRDONNXQPEH-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.47
Rot. Bonds4

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 119114518) has the molecular formula C13H19Cl2N5 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID119114518
Molecular FormulaC13H19Cl2N5
Molecular Weight316.24 g/mol
Exact Mass315.10
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C13H19Cl2N5/c1-16-13(20-6-2-3-7-20)18-5-4-17-12-11(15)8-10(14)9-19-12/h8-9H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyRMMCRDONNXQPEH-UHFFFAOYSA-N
XLogP2.47
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929808
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-methylazepane-1-carboxamide
CID 71883141
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
CID 111063524
4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
CID 55808870
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87007350
1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110953157
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
CID 136560466
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443706
methyl 1-[N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111251962

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 119114518) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCCNc1ncc(Cl)cc1Cl)N1CCCC1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is RMMCRDONNXQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N5/c1-16-13(20-6-2-3-7-20)18-5-4-17-12-11(15)8-10(14)9-19-12/h8-9H,2-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 316.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119114518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).