tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate

C14H22N4O2 — CID 129188383

IUPACtert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCc1ccc([C@@]2(NC(=O)OC(C)(C)C)CCNC2)nn1
InChIInChI=1S/C14H22N4O2/c1-10-5-6-11(18-17-10)14(7-8-15-9-14)16-12(19)20-13(2,3)4/h5-6,15H,7-9H2,1-4H3,(H,16,19)/t14-/m1/s1
InChIKeyVRWQSXNKCGNCQU-CQSZACIVSA-N
MW278.36 g/mol
LogP1.50
Rot. Bonds2

About tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate (PubChem CID 129188383) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
PubChem CID129188383
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCc1ccc([C@@]2(NC(=O)OC(C)(C)C)CCNC2)nn1
InChIInChI=1S/C14H22N4O2/c1-10-5-6-11(18-17-10)14(7-8-15-9-14)16-12(19)20-13(2,3)4/h5-6,15H,7-9H2,1-4H3,(H,16,19)/t14-/m1/s1
InChIKeyVRWQSXNKCGNCQU-CQSZACIVSA-N
XLogP1.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
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tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
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tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
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tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
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2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
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tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
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CID 84726051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate (CID 129188383) is tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate is Cc1ccc([C@@]2(NC(=O)OC(C)(C)C)CCNC2)nn1.
What is the InChIKey of tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is VRWQSXNKCGNCQU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-5-6-11(18-17-10)14(7-8-15-9-14)16-12(19)20-13(2,3)4/h5-6,15H,7-9H2,1-4H3,(H,16,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 129188383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).