tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate

C26H31N5O3 — CID 90939785

IUPACtert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C26H31N5O3/c1-26(2,3)34-25(32)30-22-10-4-9-21(29-22)24(31-13-15-33-16-14-31)23(19-7-5-11-27-17-19)20-8-6-12-28-18-20/h4-12,17-18,23-24H,13-16H2,1-3H3,(H,29,30,32)
InChIKeyZGPJFNDDUBWJIC-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.42
Rot. Bonds6

About tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate

tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate (PubChem CID 90939785) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
PubChem CID90939785
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Nametert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C26H31N5O3/c1-26(2,3)34-25(32)30-22-10-4-9-21(29-22)24(31-13-15-33-16-14-31)23(19-7-5-11-27-17-19)20-8-6-12-28-18-20/h4-12,17-18,23-24H,13-16H2,1-3H3,(H,29,30,32)
InChIKeyZGPJFNDDUBWJIC-UHFFFAOYSA-N
XLogP4.42
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 91421264
tert-butyl N-[6-[N-(dipyridin-3-ylmethyl)anilino]-2-pyridinyl]carbamate
CID 25053938
tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
CID 139373537
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 66962797
tert-butyl N-[6-[[(4-cyanophenyl)-pyridin-3-ylmethyl]-pyridin-3-ylamino]-2-pyridinyl]carbamate
CID 91081453
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 69009942
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate (CID 90939785) is tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1.
What is the InChIKey of tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The InChIKey is ZGPJFNDDUBWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2,3)34-25(32)30-22-10-4-9-21(29-22)24(31-13-15-33-16-14-31)23(19-7-5-11-27-17-19)20-8-6-12-28-18-20/h4-12,17-18,23-24H,13-16H2,1-3H3,(H,29,30,32).
What are the key properties of tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate has a molecular weight of 461.57 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 90939785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).