methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate

C13H19N3O3 — CID 5310569

IUPACmethyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(17)15-10-12(11-3-2-4-14-9-11)16-5-7-19-8-6-16/h2-4,9,12H,5-8,10H2,1H3,(H,15,17)
InChIKeyXFTHIJWYCDSPBI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.81
Rot. Bonds4

About methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate

methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate (PubChem CID 5310569) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
PubChem CID5310569
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(17)15-10-12(11-3-2-4-14-9-11)16-5-7-19-8-6-16/h2-4,9,12H,5-8,10H2,1H3,(H,15,17)
InChIKeyXFTHIJWYCDSPBI-UHFFFAOYSA-N
XLogP0.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
CID 99977577
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The IUPAC name of methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate (CID 5310569) is methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate.
What is the SMILES notation for methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The canonical SMILES for methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate is COC(=O)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
The InChIKey is XFTHIJWYCDSPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-13(17)15-10-12(11-3-2-4-14-9-11)16-5-7-19-8-6-16/h2-4,9,12H,5-8,10H2,1H3,(H,15,17).
What are the key properties of methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate?
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate has a molecular weight of 265.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate is sourced from PubChem (CID 5310569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).