tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate

C17H24N4O3 — CID 114238920

IUPACtert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CC(=O)N3CCCC23)cn1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-14-7-6-11(10-18-14)19-12-9-15(22)21-8-4-5-13(12)21/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,18,20,23)
InChIKeyUANGUQFDVWXBLX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate (PubChem CID 114238920) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
PubChem CID114238920
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CC(=O)N3CCCC23)cn1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-14-7-6-11(10-18-14)19-12-9-15(22)21-8-4-5-13(12)21/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,18,20,23)
InChIKeyUANGUQFDVWXBLX-UHFFFAOYSA-N
XLogP2.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
CID 107243166
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
CID 103933766
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
CID 113030719
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate (CID 114238920) is tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CC(=O)N3CCCC23)cn1.
What is the InChIKey of tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate?
The InChIKey is UANGUQFDVWXBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-14-7-6-11(10-18-14)19-12-9-15(22)21-8-4-5-13(12)21/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,18,20,23).
What are the key properties of tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 114238920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).