(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide

C17H20ClN5O3 — CID 167766651

IUPAC(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide
SMILESCCN1C(=O)CO[C@H](C(=O)Nc2ccnc(C)c2Cl)[C@H]1c1nccn1C
InChIInChI=1S/C17H20ClN5O3/c1-4-23-12(24)9-26-15(14(23)16-20-7-8-22(16)3)17(25)21-11-5-6-19-10(2)13(11)18/h5-8,14-15H,4,9H2,1-3H3,(H,19,21,25)/t14-,15-/m0/s1
InChIKeySLEOPDBBEDNKEL-GJZGRUSLSA-N
MW377.83 g/mol
LogP1.70
Rot. Bonds4

About (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 167766651) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide
PubChem CID167766651
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide
SMILESCCN1C(=O)CO[C@H](C(=O)Nc2ccnc(C)c2Cl)[C@H]1c1nccn1C
InChIInChI=1S/C17H20ClN5O3/c1-4-23-12(24)9-26-15(14(23)16-20-7-8-22(16)3)17(25)21-11-5-6-19-10(2)13(11)18/h5-8,14-15H,4,9H2,1-3H3,(H,19,21,25)/t14-,15-/m0/s1
InChIKeySLEOPDBBEDNKEL-GJZGRUSLSA-N
XLogP1.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
CID 154799304
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 154796001
(5S,6S)-4-ethyl-6-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5-(1-methylimidazol-2-yl)morpholin-3-one
CID 154761164
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739673
(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124709648
(2R,3S)-4-benzyl-N-(2-chloro-3-fluoro-4-pyridinyl)-2-methyl-5-oxomorpholine-3-carboxamide
CID 167807149
(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882471
4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 75538201
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138012870

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide (CID 167766651) is (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide is CCN1C(=O)CO[C@H](C(=O)Nc2ccnc(C)c2Cl)[C@H]1c1nccn1C.
What is the InChIKey of (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is SLEOPDBBEDNKEL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-4-23-12(24)9-26-15(14(23)16-20-7-8-22(16)3)17(25)21-11-5-6-19-10(2)13(11)18/h5-8,14-15H,4,9H2,1-3H3,(H,19,21,25)/t14-,15-/m0/s1.
What are the key properties of (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 167766651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).