N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide

C20H27N5O3 — CID 124959331

IUPACN-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCOCCNC(=O)CN1CCO[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-5-19(23-15)24-16-6-7-17(22-12-16)18-13-25(9-11-28-18)14-20(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,23,24)/t18-/m0/s1
InChIKeyGMOOXSHFPXPVEC-SFHVURJKSA-N
MW385.47 g/mol
LogP1.66
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide

N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide (PubChem CID 124959331) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
PubChem CID124959331
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCOCCNC(=O)CN1CCO[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-5-19(23-15)24-16-6-7-17(22-12-16)18-13-25(9-11-28-18)14-20(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,23,24)/t18-/m0/s1
InChIKeyGMOOXSHFPXPVEC-SFHVURJKSA-N
XLogP1.66
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
CID 124990848
3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 127249067
6-methyl-N-[6-[(2S)-4-(2-phenylmethoxyethyl)morpholin-2-yl]-3-pyridinyl]pyridin-2-amine
CID 125021997
N-[6-[(2R)-4-[(8-methoxyquinolin-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 124951705
N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 127249198
N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95813548
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249199
6-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 125006392
1-[2-[3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 110252308
tert-butyl (2R)-2-[6-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]amino]-2-pyridinyl]morpholine-4-carboxylate
CID 125003737
2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
CID 110271844
1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 155985048

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide (CID 124959331) is N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide is COCCNC(=O)CN1CCO[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The InChIKey is GMOOXSHFPXPVEC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-4-3-5-19(23-15)24-16-6-7-17(22-12-16)18-13-25(9-11-28-18)14-20(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,23,24)/t18-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 124959331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).