butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate

C22H25N5O2 — CID 175971526

IUPACbutyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCCCCOC(=O)NCc1cc2nc(-c3cccc(N4CCC4)n3)ccc2cn1
InChIInChI=1S/C22H25N5O2/c1-2-3-12-29-22(28)24-15-17-13-20-16(14-23-17)8-9-19(25-20)18-6-4-7-21(26-18)27-10-5-11-27/h4,6-9,13-14H,2-3,5,10-12,15H2,1H3,(H,24,28)
InChIKeyMFDLAFHRFMLALK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.93
Rot. Bonds7

About butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate

butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate (PubChem CID 175971526) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate.

Molecular Properties

Compound Namebutyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
PubChem CID175971526
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namebutyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCCCCOC(=O)NCc1cc2nc(-c3cccc(N4CCC4)n3)ccc2cn1
InChIInChI=1S/C22H25N5O2/c1-2-3-12-29-22(28)24-15-17-13-20-16(14-23-17)8-9-19(25-20)18-6-4-7-21(26-18)27-10-5-11-27/h4,6-9,13-14H,2-3,5,10-12,15H2,1H3,(H,24,28)
InChIKeyMFDLAFHRFMLALK-UHFFFAOYSA-N
XLogP3.93
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The IUPAC name of butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate (CID 175971526) is butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate.
What is the SMILES notation for butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The canonical SMILES for butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate is CCCCOC(=O)NCc1cc2nc(-c3cccc(N4CCC4)n3)ccc2cn1.
What is the InChIKey of butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The InChIKey is MFDLAFHRFMLALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-3-12-29-22(28)24-15-17-13-20-16(14-23-17)8-9-19(25-20)18-6-4-7-21(26-18)27-10-5-11-27/h4,6-9,13-14H,2-3,5,10-12,15H2,1H3,(H,24,28).
What are the key properties of butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate has a molecular weight of 391.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate is sourced from PubChem (CID 175971526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).