(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide

C24H31FN4O3 — CID 11495941

IUPAC(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CNOCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H31FN4O3/c1-2-3-10-19(15-27-32-17-18-8-5-4-6-9-18)24(31)29-14-7-11-21(29)23(30)28-22-13-12-20(25)16-26-22/h4-6,8-9,12-13,16,19,21,27H,2-3,7,10-11,14-15,17H2,1H3,(H,26,28,30)/t19-,21+/m1/s1
InChIKeyZVVYHZSHTYFPAB-CTNGQTDRSA-N
MW442.54 g/mol
LogP3.68
Rot. Bonds11

About (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide

(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 11495941) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID11495941
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CNOCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H31FN4O3/c1-2-3-10-19(15-27-32-17-18-8-5-4-6-9-18)24(31)29-14-7-11-21(29)23(30)28-22-13-12-20(25)16-26-22/h4-6,8-9,12-13,16,19,21,27H,2-3,7,10-11,14-15,17H2,1H3,(H,26,28,30)/t19-,21+/m1/s1
InChIKeyZVVYHZSHTYFPAB-CTNGQTDRSA-N
XLogP3.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[(5-fluoro-2-pyridinyl)carbamoyl]-2-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]pyrazolidine-1-carboxylic acid
CID 88923317
(2S)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]-N-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763267
(3S)-N-(5-fluoro-2-pyridinyl)-2-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]pyrazolidine-3-carboxamide
CID 88923190
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one
CID 142875249
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763324
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 22666965
1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59908496
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide (CID 11495941) is (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@H](CNOCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZVVYHZSHTYFPAB-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-2-3-10-19(15-27-32-17-18-8-5-4-6-9-18)24(31)29-14-7-11-21(29)23(30)28-22-13-12-20(25)16-26-22/h4-6,8-9,12-13,16,19,21,27H,2-3,7,10-11,14-15,17H2,1H3,(H,26,28,30)/t19-,21+/m1/s1.
What are the key properties of (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11495941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).