tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate

C24H30N6O2 — CID 176904972

IUPACtert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCN1CCN(c2cccc(-c3ccc4cnc(CNC(=O)OC(C)(C)C)cc4n3)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-24(2,3)32-23(31)26-16-18-14-21-17(15-25-18)8-9-20(27-21)19-6-5-7-22(28-19)30-12-10-29(4)11-13-30/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,31)
InChIKeyMOGYCJJNJZDTKD-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate

tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate (PubChem CID 176904972) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
PubChem CID176904972
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Nametert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCN1CCN(c2cccc(-c3ccc4cnc(CNC(=O)OC(C)(C)C)cc4n3)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-24(2,3)32-23(31)26-16-18-14-21-17(15-25-18)8-9-20(27-21)19-6-5-7-22(28-19)30-12-10-29(4)11-13-30/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,31)
InChIKeyMOGYCJJNJZDTKD-UHFFFAOYSA-N
XLogP3.47
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176666664
butyl N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
CID 175971526
CID 176665731
CID 176665731
(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]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
N-[[2-[6-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2,3-dimethyl-5-methylsulfonylbenzamide
CID 176665431
N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666832
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723825
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate (CID 176904972) is tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate is CN1CCN(c2cccc(-c3ccc4cnc(CNC(=O)OC(C)(C)C)cc4n3)n2)CC1.
What is the InChIKey of tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
The InChIKey is MOGYCJJNJZDTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-24(2,3)32-23(31)26-16-18-14-21-17(15-25-18)8-9-20(27-21)19-6-5-7-22(28-19)30-12-10-29(4)11-13-30/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,31).
What are the key properties of tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate?
tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate has a molecular weight of 434.54 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate is sourced from PubChem (CID 176904972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).