benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate

C17H18ClN3O2 — CID 103393660

IUPACbenzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2cccc(Cl)n2)C1)OCc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-15-7-4-8-16(21-15)19-13-9-14(10-13)20-17(22)23-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,19,21)(H,20,22)
InChIKeyJNQHPJFJDOVPEI-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.60
Rot. Bonds5

About benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate

benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate (PubChem CID 103393660) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
PubChem CID103393660
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Namebenzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2cccc(Cl)n2)C1)OCc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-15-7-4-8-16(21-15)19-13-9-14(10-13)20-17(22)23-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,19,21)(H,20,22)
InChIKeyJNQHPJFJDOVPEI-UHFFFAOYSA-N
XLogP3.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate (CID 103393660) is benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate is O=C(NC1CC(Nc2cccc(Cl)n2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate?
The InChIKey is JNQHPJFJDOVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-7-4-8-16(21-15)19-13-9-14(10-13)20-17(22)23-11-12-5-2-1-3-6-12/h1-8,13-14H,9-11H2,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate has a molecular weight of 331.80 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).