N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide

C13H18Cl2N4O — CID 136560466

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
SMILESCCN1CCC1C(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-2-19-6-3-11(19)13(20)17-5-4-16-12-10(15)7-9(14)8-18-12/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,20)
InChIKeyJZISMQLAVLVLKD-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.01
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide (PubChem CID 136560466) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
PubChem CID136560466
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
SMILESCCN1CCC1C(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-2-19-6-3-11(19)13(20)17-5-4-16-12-10(15)7-9(14)8-18-12/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,20)
InChIKeyJZISMQLAVLVLKD-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 60554807
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-methylazepane-1-carboxamide
CID 71883141
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443706
4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
CID 55808870
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
CID 111063524
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114518
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
CID 55723456
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894418
(3S)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94130035

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide (CID 136560466) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide is CCN1CCC1C(=O)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide?
The InChIKey is JZISMQLAVLVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-2-19-6-3-11(19)13(20)17-5-4-16-12-10(15)7-9(14)8-18-12/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide is sourced from PubChem (CID 136560466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).