(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide

C16H24N4O2 — CID 124616725

IUPAC(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@@H](C)CO1
InChIInChI=1S/C16H24N4O2/c1-12-11-22-13(2)9-20(12)16(21)18-14-6-8-19(10-14)15-5-3-4-7-17-15/h3-5,7,12-14H,6,8-11H2,1-2H3,(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyNSWRQIUQNBPSJH-BFHYXJOUSA-N
MW304.39 g/mol
LogP1.48
Rot. Bonds2

About (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide

(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 124616725) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID124616725
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@@H](C)CO1
InChIInChI=1S/C16H24N4O2/c1-12-11-22-13(2)9-20(12)16(21)18-14-6-8-19(10-14)15-5-3-4-7-17-15/h3-5,7,12-14H,6,8-11H2,1-2H3,(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyNSWRQIUQNBPSJH-BFHYXJOUSA-N
XLogP1.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(2R,5S)-2,5-dimethyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 124777293
(3S,4S)-1-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122007765
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide (CID 124616725) is (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is NSWRQIUQNBPSJH-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-11-22-13(2)9-20(12)16(21)18-14-6-8-19(10-14)15-5-3-4-7-17-15/h3-5,7,12-14H,6,8-11H2,1-2H3,(H,18,21)/t12-,13+,14+/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide?
(2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124616725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).