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

C24H31FN4O3 — CID 72983983

IUPACN-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCCC(CNOCc1ccccc1)C(=O)N1CCCC1C(=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)
InChIKeyZVVYHZSHTYFPAB-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.68
Rot. Bonds11

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

N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 72983983) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID72983983
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC NameN-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCCC(CNOCc1ccccc1)C(=O)N1CCCC1C(=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)
InChIKeyZVVYHZSHTYFPAB-UHFFFAOYSA-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 N-(5-fluoro-2-pyridinyl)-1-[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

example 131 [WO2009133348]
CID 44468926
Pentanedioic acid cyclopentylcarbamoylmethyl-(4-fluoro-benzyl)-amide pyridin-2-ylamide
CID 646044
N-Cyclopentyl-N-[(4-fluoro-phenyl)-isopropylcarbamoyl-methyl]-N'-pyridin-2-yl-succinamide
CID 3204932
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 11210665
(R)-3-amino-1-((S)-2-((5-fluoropyridin-2-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45273581
benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate
CID 70073083
benzyl N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)pentanoyl]amino]-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate
CID 44530955
benzyl N-[[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 117888639
US11306078, Example 1.158
CID 141677986
US11306078, Example 1.157
CID 141749000
(S)-benzyl 2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 659385
(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
CID 46871615

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide (CID 72983983) is N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide is CCCCC(CNOCc1ccccc1)C(=O)N1CCCC1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZVVYHZSHTYFPAB-UHFFFAOYSA-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).
What are the key properties of N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide?
N-(5-fluoro-2-pyridinyl)-1-[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 N-(5-fluoro-2-pyridinyl)-1-[2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72983983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).