N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide

C13H19N3O2 — CID 125435136

IUPACN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-4-3-5-14-12(10)11(2)15-13(17)16-6-8-18-9-7-16/h3-5,11H,6-9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyWFEYUVYJSHSVMG-NSHDSACASA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds2

About N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide

N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide (PubChem CID 125435136) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide
PubChem CID125435136
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-4-3-5-14-12(10)11(2)15-13(17)16-6-8-18-9-7-16/h3-5,11H,6-9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyWFEYUVYJSHSVMG-NSHDSACASA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide (CID 125435136) is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide is Cc1cccnc1[C@H](C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide?
The InChIKey is WFEYUVYJSHSVMG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-3-5-14-12(10)11(2)15-13(17)16-6-8-18-9-7-16/h3-5,11H,6-9H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide?
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 125435136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).