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

C23H25N5O3 — CID 91421264

IUPACmethyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C23H25N5O3/c1-30-23(29)27-20-8-2-7-19(26-20)22(28-11-13-31-14-12-28)21(17-5-3-9-24-15-17)18-6-4-10-25-16-18/h2-10,15-16,21-22H,11-14H2,1H3,(H,26,27,29)
InChIKeyVJIIGSNQJMEGQZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.26
Rot. Bonds6

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

methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate (PubChem CID 91421264) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
PubChem CID91421264
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Namemethyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C23H25N5O3/c1-30-23(29)27-20-8-2-7-19(26-20)22(28-11-13-31-14-12-28)21(17-5-3-9-24-15-17)18-6-4-10-25-16-18/h2-10,15-16,21-22H,11-14H2,1H3,(H,26,27,29)
InChIKeyVJIIGSNQJMEGQZ-UHFFFAOYSA-N
XLogP3.26
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 90939785
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
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 69009942
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262
methyl (2S)-1-[1-(6-bromo-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrrolidine-2-carboxylate
CID 87216663
N-[(2R)-2-morpholin-4-ylpropyl]-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
CID 124878270
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131901626

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate (CID 91421264) is methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate is COC(=O)Nc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)n1.
What is the InChIKey of methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
The InChIKey is VJIIGSNQJMEGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-23(29)27-20-8-2-7-19(26-20)22(28-11-13-31-14-12-28)21(17-5-3-9-24-15-17)18-6-4-10-25-16-18/h2-10,15-16,21-22H,11-14H2,1H3,(H,26,27,29).
What are the key properties of methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate?
methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate has a molecular weight of 419.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 91421264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).