5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one

C16H21N3O — CID 175177862

IUPAC5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCCC1c1nccc2[nH]c(=O)ccc12
InChIInChI=1S/C16H21N3O/c1-16(2,3)19-10-4-5-13(19)15-11-6-7-14(20)18-12(11)8-9-17-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyYRNSPHCIJMZQGB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds1

About 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one

5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one (PubChem CID 175177862) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one
PubChem CID175177862
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCCC1c1nccc2[nH]c(=O)ccc12
InChIInChI=1S/C16H21N3O/c1-16(2,3)19-10-4-5-13(19)15-11-6-7-14(20)18-12(11)8-9-17-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyYRNSPHCIJMZQGB-UHFFFAOYSA-N
XLogP2.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one (CID 175177862) is 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one is CC(C)(C)N1CCCC1c1nccc2[nH]c(=O)ccc12.
What is the InChIKey of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one?
The InChIKey is YRNSPHCIJMZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)19-10-4-5-13(19)15-11-6-7-14(20)18-12(11)8-9-17-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one?
5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 175177862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).