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

C19H23N3O2 — CID 67035089

IUPACbenzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate
SMILESCc1cccc(NCC2CC(NC(=O)OCc3ccccc3)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-6-5-9-18(21-14)20-12-16-10-17(11-16)22-19(23)24-13-15-7-3-2-4-8-15/h2-9,16-17H,10-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyIYUXBJGVUKPTSP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.51
Rot. Bonds6

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

benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate (PubChem CID 67035089) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate
PubChem CID67035089
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namebenzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate
SMILESCc1cccc(NCC2CC(NC(=O)OCc3ccccc3)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-6-5-9-18(21-14)20-12-16-10-17(11-16)22-19(23)24-13-15-7-3-2-4-8-15/h2-9,16-17H,10-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyIYUXBJGVUKPTSP-UHFFFAOYSA-N
XLogP3.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate (CID 67035089) is benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate is Cc1cccc(NCC2CC(NC(=O)OCc3ccccc3)C2)n1.
What is the InChIKey of benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate?
The InChIKey is IYUXBJGVUKPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-6-5-9-18(21-14)20-12-16-10-17(11-16)22-19(23)24-13-15-7-3-2-4-8-15/h2-9,16-17H,10-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate?
benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 67035089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).