(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

C20H29N4O4- — CID 142946667

IUPAC(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cc(CC)ccn1
InChIInChI=1S/C20H29N4O4/c1-3-5-7-16(13-23(28)14-25)20(27)24-11-6-8-17(24)19(26)22-18-12-15(4-2)9-10-21-18/h9-10,12,14,16-17H,3-8,11,13H2,1-2H3,(H,21,22,26)/q-1/t16-,17+/m1/s1
InChIKeyITGGAFPPDVXMMD-SJORKVTESA-N
MW389.48 g/mol
LogP2.34
Rot. Bonds10

About (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 142946667) has the molecular formula C20H29N4O4- and a molecular weight of 389.48 g/mol. Its IUPAC name is (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID142946667
Molecular FormulaC20H29N4O4-
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC Name(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cc(CC)ccn1
InChIInChI=1S/C20H29N4O4/c1-3-5-7-16(13-23(28)14-25)20(27)24-11-6-8-17(24)19(26)22-18-12-15(4-2)9-10-21-18/h9-10,12,14,16-17H,3-8,11,13H2,1-2H3,(H,21,22,26)/q-1/t16-,17+/m1/s1
InChIKeyITGGAFPPDVXMMD-SJORKVTESA-N
XLogP2.34
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.34
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'}

Analyze (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
(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-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
(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)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 10387321
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763324
(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763284
(2S)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 25188709
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (CID 142946667) is (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cc(CC)ccn1.
What is the InChIKey of (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ITGGAFPPDVXMMD-SJORKVTESA-N. The full InChI is InChI=1S/C20H29N4O4/c1-3-5-7-16(13-23(28)14-25)20(27)24-11-6-8-17(24)19(26)22-18-12-15(4-2)9-10-21-18/h9-10,12,14,16-17H,3-8,11,13H2,1-2H3,(H,21,22,26)/q-1/t16-,17+/m1/s1.
What are the key properties of (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142946667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).