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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Related Compounds

tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176904972
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
(2R)-N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2-methyl-1,1-dioxo-3,5-dihydro-2H-4,1λ6-benzoxathiepine-8-carboxamide
CID 170545008
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
CID 176665731
CID 176665731
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176666569

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).