tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate

C16H24N4O3 — CID 47058851

IUPACtert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNC(=O)c1cnccn1)C1CC1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20(12-5-6-12)10-4-7-19-14(21)13-11-17-8-9-18-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyABDDRCCTDJDIPD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.00
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate (PubChem CID 47058851) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate
PubChem CID47058851
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNC(=O)c1cnccn1)C1CC1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20(12-5-6-12)10-4-7-19-14(21)13-11-17-8-9-18-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyABDDRCCTDJDIPD-UHFFFAOYSA-N
XLogP2.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
tert-butyl N-cyclopropyl-N-[3-[(3-phenylthiophene-2-carbonyl)amino]propyl]carbamate
CID 60518663
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate (CID 47058851) is tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate is CC(C)(C)OC(=O)N(CCCNC(=O)c1cnccn1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate?
The InChIKey is ABDDRCCTDJDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20(12-5-6-12)10-4-7-19-14(21)13-11-17-8-9-18-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate is sourced from PubChem (CID 47058851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).