(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide

C25H32N4O5 — CID 58763324

IUPAC(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1OC
InChIInChI=1S/C25H32N4O5/c1-3-4-10-19(17-28(18-30)34-20-11-6-5-7-12-20)25(32)29-16-9-13-21(29)24(31)27-23-22(33-2)14-8-15-26-23/h5-8,11-12,14-15,18-19,21H,3-4,9-10,13,16-17H2,1-2H3,(H,26,27,31)/t19-,21+/m1/s1
InChIKeyDOVAPDNFCMMBGE-CTNGQTDRSA-N
MW468.55 g/mol
LogP3.28
Rot. Bonds12

About (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 58763324) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID58763324
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1OC
InChIInChI=1S/C25H32N4O5/c1-3-4-10-19(17-28(18-30)34-20-11-6-5-7-12-20)25(32)29-16-9-13-21(29)24(31)27-23-22(33-2)14-8-15-26-23/h5-8,11-12,14-15,18-19,21H,3-4,9-10,13,16-17H2,1-2H3,(H,26,27,31)/t19-,21+/m1/s1
InChIKeyDOVAPDNFCMMBGE-CTNGQTDRSA-N
XLogP3.28
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)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

(2S)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]-N-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763267
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 76652352
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 11495941
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
N-hydroxy-N-[(2R)-2-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 10455515
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
(3S)-3-[(5-fluoro-2-pyridinyl)carbamoyl]-2-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]pyrazolidine-1-carboxylic acid
CID 88923317
N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
CID 10390194

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide (CID 58763324) is (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide is CCCC[C@H](CN(C=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1OC.
What is the InChIKey of (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is DOVAPDNFCMMBGE-CTNGQTDRSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-3-4-10-19(17-28(18-30)34-20-11-6-5-7-12-20)25(32)29-16-9-13-21(29)24(31)27-23-22(33-2)14-8-15-26-23/h5-8,11-12,14-15,18-19,21H,3-4,9-10,13,16-17H2,1-2H3,(H,26,27,31)/t19-,21+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 58763324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).