(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

C25H31FN4O4 — CID 58833612

IUPAC(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C25H31FN4O4/c1-2-3-10-20(16-29(18-31)34-17-19-8-5-4-6-9-19)25(33)30-14-7-11-22(30)24(32)28-23-13-12-21(26)15-27-23/h4-6,8-9,12-13,15,18,20,22H,2-3,7,10-11,14,16-17H2,1H3,(H,27,28,32)/t20-,22-/m1/s1
InChIKeyNLRNMAOXLQQEQZ-IFMALSPDSA-N
MW470.55 g/mol
LogP3.55
Rot. Bonds12

About (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 58833612) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID58833612
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC Name(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C25H31FN4O4/c1-2-3-10-20(16-29(18-31)34-17-19-8-5-4-6-9-19)25(33)30-14-7-11-22(30)24(32)28-23-13-12-21(26)15-27-23/h4-6,8-9,12-13,15,18,20,22H,2-3,7,10-11,14,16-17H2,1H3,(H,27,28,32)/t20-,22-/m1/s1
InChIKeyNLRNMAOXLQQEQZ-IFMALSPDSA-N
XLogP3.55
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (CID 58833612) is (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is NLRNMAOXLQQEQZ-IFMALSPDSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-2-3-10-20(16-29(18-31)34-17-19-8-5-4-6-9-19)25(33)30-14-7-11-22(30)24(32)28-23-13-12-21(26)15-27-23/h4-6,8-9,12-13,15,18,20,22H,2-3,7,10-11,14,16-17H2,1H3,(H,27,28,32)/t20-,22-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
(2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58833612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).