benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate

C19H20N4O2 — CID 103393058

IUPACbenzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2ccc3[nH]ncc3c2)C1)OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-19(25-12-13-4-2-1-3-5-13)22-17-9-16(10-17)21-15-6-7-18-14(8-15)11-20-23-18/h1-8,11,16-17,21H,9-10,12H2,(H,20,23)(H,22,24)
InChIKeyMANZRUGUHCMTSA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.43
Rot. Bonds5

About benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate

benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate (PubChem CID 103393058) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
PubChem CID103393058
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Namebenzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2ccc3[nH]ncc3c2)C1)OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-19(25-12-13-4-2-1-3-5-13)22-17-9-16(10-17)21-15-6-7-18-14(8-15)11-20-23-18/h1-8,11,16-17,21H,9-10,12H2,(H,20,23)(H,22,24)
InChIKeyMANZRUGUHCMTSA-UHFFFAOYSA-N
XLogP3.43
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3-[4-(cyanomethoxy)anilino]cyclobutyl]carbamate
CID 103392875
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-[(6-ethoxy-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393572

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate (CID 103393058) is benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate is O=C(NC1CC(Nc2ccc3[nH]ncc3c2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate?
The InChIKey is MANZRUGUHCMTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25-12-13-4-2-1-3-5-13)22-17-9-16(10-17)21-15-6-7-18-14(8-15)11-20-23-18/h1-8,11,16-17,21H,9-10,12H2,(H,20,23)(H,22,24).
What are the key properties of benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).