N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide

C20H27N5O3 — CID 124990848

IUPACN-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCOCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-7-22-20(15)24-16-5-6-17(23-12-16)18-13-25(9-11-28-18)14-19(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,22,24)/t18-/m1/s1
InChIKeyPETVKFQPLMLFIY-GOSISDBHSA-N
MW385.47 g/mol
LogP1.66
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide

N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide (PubChem CID 124990848) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
PubChem CID124990848
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCOCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-7-22-20(15)24-16-5-6-17(23-12-16)18-13-25(9-11-28-18)14-19(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,22,24)/t18-/m1/s1
InChIKeyPETVKFQPLMLFIY-GOSISDBHSA-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-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
CID 124959331
N-[6-[(2R)-4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 125018681
N-[6-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 127249203
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95834159
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249199
N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252151
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
CID 79840477
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
6-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 125006392
1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 95813457
N,N-dimethyl-2-[2-(5-methyl-2-pyridinyl)morpholin-4-yl]acetamide
CID 110270826
2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813471

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide (CID 124990848) is N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide is COCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
The InChIKey is PETVKFQPLMLFIY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-4-3-7-22-20(15)24-16-5-6-17(23-12-16)18-13-25(9-11-28-18)14-19(26)21-8-10-27-2/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,26)(H,22,24)/t18-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide?
N-(2-methoxyethyl)-2-[(2R)-2-[5-[(3-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-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 124990848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).