(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

C17H26N4O4 — CID 110197066

IUPAC(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NCCOC
InChIInChI=1S/C17H26N4O4/c1-3-6-20-17(23)21-12-14(25-13-5-4-7-18-11-13)10-15(21)16(22)19-8-9-24-2/h4-5,7,11,14-15H,3,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23)/t14-,15+/m0/s1
InChIKeyHBJWESIYXTVPEP-LSDHHAIUSA-N
MW350.42 g/mol
LogP0.79
Rot. Bonds8

About (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (PubChem CID 110197066) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
PubChem CID110197066
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NCCOC
InChIInChI=1S/C17H26N4O4/c1-3-6-20-17(23)21-12-14(25-13-5-4-7-18-11-13)10-15(21)16(22)19-8-9-24-2/h4-5,7,11,14-15H,3,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23)/t14-,15+/m0/s1
InChIKeyHBJWESIYXTVPEP-LSDHHAIUSA-N
XLogP0.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110198415
(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 110197069
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
1-[3-(1H-indol-3-yl)propanoyl]-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 171142208
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
2-N-(2-methoxyethyl)-1-N-[(4-methylphenyl)methyl]-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 171142116
N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142100
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198401
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (CID 110197066) is (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is CCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NCCOC.
What is the InChIKey of (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The InChIKey is HBJWESIYXTVPEP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-6-20-17(23)21-12-14(25-13-5-4-7-18-11-13)10-15(21)16(22)19-8-9-24-2/h4-5,7,11,14-15H,3,6,8-10,12H2,1-2H3,(H,19,22)(H,20,23)/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110197066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).