N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

C16H19N5O3 — CID 125021716

IUPACN-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH]1
InChIInChI=1S/C16H19N5O3/c1-11(22)18-8-12-9-19-15(20-12)14-10-21(6-7-24-14)16(23)13-4-2-3-5-17-13/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H,19,20)/t14-/m0/s1
InChIKeyYLVZGZRBFOTEAV-AWEZNQCLSA-N
MW329.36 g/mol
LogP0.65
Rot. Bonds4

About N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 125021716) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID125021716
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH]1
InChIInChI=1S/C16H19N5O3/c1-11(22)18-8-12-9-19-15(20-12)14-10-21(6-7-24-14)16(23)13-4-2-3-5-17-13/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H,19,20)/t14-/m0/s1
InChIKeyYLVZGZRBFOTEAV-AWEZNQCLSA-N
XLogP0.65
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117119
N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124948396
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117117
N-[2-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 110117072
N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117016
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117033
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 125021716) is N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH]1.
What is the InChIKey of N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is YLVZGZRBFOTEAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11(22)18-8-12-9-19-15(20-12)14-10-21(6-7-24-14)16(23)13-4-2-3-5-17-13/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H,19,20)/t14-/m0/s1.
What are the key properties of N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 125021716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).