(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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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).