(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

C22H25N3O3 — CID 134699606

IUPAC(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C22H25N3O3/c1-2-24(14-16-7-4-3-5-8-16)22(27)21-20(17-9-6-12-23-13-17)25(18-10-11-18)19(26)15-28-21/h3-9,12-13,18,20-21H,2,10-11,14-15H2,1H3/t20-,21+/m1/s1
InChIKeyIRIQORGWJJWDNX-RTWAWAEBSA-N
MW379.46 g/mol
LogP2.56
Rot. Bonds6

About (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134699606) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134699606
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C22H25N3O3/c1-2-24(14-16-7-4-3-5-8-16)22(27)21-20(17-9-6-12-23-13-17)25(18-10-11-18)19(26)15-28-21/h3-9,12-13,18,20-21H,2,10-11,14-15H2,1H3/t20-,21+/m1/s1
InChIKeyIRIQORGWJJWDNX-RTWAWAEBSA-N
XLogP2.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336226
(2S,3R)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-yl-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 134702197
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 134704558
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916
(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709598
acetic acid;(5R,6S)-4-cyclopropyl-6-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 163341021
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 134695661
methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 157014008
(2S,3R)-N-[(3-cyanophenyl)methyl]-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 157012798

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134699606) is (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is CCN(Cc1ccccc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is IRIQORGWJJWDNX-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-24(14-16-7-4-3-5-8-16)22(27)21-20(17-9-6-12-23-13-17)25(18-10-11-18)19(26)15-28-21/h3-9,12-13,18,20-21H,2,10-11,14-15H2,1H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134699606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).