(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

C17H27N5O3 — CID 126819152

IUPAC(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCCN(CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1CC1
InChIInChI=1S/C17H27N5O3/c1-4-22(13-5-6-13)8-7-18-17(24)16-15(12-9-19-20(2)10-12)21(3)14(23)11-25-16/h9-10,13,15-16H,4-8,11H2,1-3H3,(H,18,24)/t15-,16-/m1/s1
InChIKeyAJTUSBYJUIDOKP-HZPDHXFCSA-N
MW349.44 g/mol
LogP-0.08
Rot. Bonds7

About (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 126819152) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
PubChem CID126819152
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCCN(CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1CC1
InChIInChI=1S/C17H27N5O3/c1-4-22(13-5-6-13)8-7-18-17(24)16-15(12-9-19-20(2)10-12)21(3)14(23)11-25-16/h9-10,13,15-16H,4-8,11H2,1-3H3,(H,18,24)/t15-,16-/m1/s1
InChIKeyAJTUSBYJUIDOKP-HZPDHXFCSA-N
XLogP-0.08
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide with MolForge

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72932030
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-morpholinecarboxamide
CID 56917263
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxo-N-(2-sulfanylethyl)morpholine-2-carboxamide
CID 177680348
(5S,6R)-6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-4-methyl-5-(1-methylpyrazol-4-yl)morpholin-3-one
CID 137849299
N,N-dimethyl-1-[rel-(2S,3S)-3-(1-methyl-1H-pyrazol-4-yl)-4-(4,4,4-trifluorobutanoyl)-2-morpholinyl]methanamine
CID 155496721
1H-Pyrazole-4-propanamide, N-[2-(2,2-dimethyl-4-morpholinyl)ethyl]-I+/--hydroxy-N,1-dimethyl-
CID 172640785
(1-cyclopropylpyrazol-4-yl)-[(2R)-morpholin-2-yl]methanone
CID 166121794
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-(3-morpholinyl)acetamide
CID 56912382
2-(Aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 62081724
1-[4-cyclopropyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 64073041
[4-Cyclopropyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 64073616

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (CID 126819152) is (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is CCN(CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1CC1.
What is the InChIKey of (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is AJTUSBYJUIDOKP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-22(13-5-6-13)8-7-18-17(24)16-15(12-9-19-20(2)10-12)21(3)14(23)11-25-16/h9-10,13,15-16H,4-8,11H2,1-3H3,(H,18,24)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
(2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of -0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 126819152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).