(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C19H25N3O4 — CID 110198827

IUPAC(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CC=CC1
InChIInChI=1S/C19H25N3O4/c1-25-10-9-21-18(23)17-11-16(26-15-7-4-8-20-12-15)13-22(17)19(24)14-5-2-3-6-14/h2-4,7-8,12,14,16-17H,5-6,9-11,13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyRRTPQVZQVYIZRM-IRXDYDNUSA-N
MW359.43 g/mol
LogP1.16
Rot. Bonds7

About (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198827) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198827
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CC=CC1
InChIInChI=1S/C19H25N3O4/c1-25-10-9-21-18(23)17-11-16(26-15-7-4-8-20-12-15)13-22(17)19(24)14-5-2-3-6-14/h2-4,7-8,12,14,16-17H,5-6,9-11,13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyRRTPQVZQVYIZRM-IRXDYDNUSA-N
XLogP1.16
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198827) is (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CC=CC1.
What is the InChIKey of (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is RRTPQVZQVYIZRM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-10-9-21-18(23)17-11-16(26-15-7-4-8-20-12-15)13-22(17)19(24)14-5-2-3-6-14/h2-4,7-8,12,14,16-17H,5-6,9-11,13H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).