tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate

C14H20ClN3O2 — CID 80559539

IUPACtert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cccnc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-10-7-9(8-10)17-11-5-4-6-16-12(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyNMDKDPSYYUZCIL-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate (PubChem CID 80559539) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
PubChem CID80559539
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Nametert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cccnc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-10-7-9(8-10)17-11-5-4-6-16-12(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyNMDKDPSYYUZCIL-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate 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

tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
CID 175849779
tert-butyl N-[3-[2-(hydroxymethyl)anilino]cyclohexyl]carbamate
CID 103720124
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(2-chloro-5-cyanoanilino)cyclobutyl]carbamate
CID 103759680
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
6-chloro-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylic acid
CID 166590618
tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
CID 107462484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate (CID 80559539) is tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2cccnc2Cl)C1.
What is the InChIKey of tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate?
The InChIKey is NMDKDPSYYUZCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-10-7-9(8-10)17-11-5-4-6-16-12(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate has a molecular weight of 297.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 80559539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).