1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C19H25F3N4O4 — CID 162540477

IUPAC1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H25F3N4O4/c1-2-3-5-13(11-25(30)12-27)18(29)26-9-4-6-15(26)17(28)24-16-10-14(7-8-23-16)19(20,21)22/h7-8,10,12-13,15,30H,2-6,9,11H2,1H3,(H,23,24,28)/t13-,15?/m1/s1
InChIKeySZHQAHJBONVHSD-AFYYWNPRSA-N
MW430.43 g/mol
LogP2.68
Rot. Bonds9

About 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 162540477) has the molecular formula C19H25F3N4O4 and a molecular weight of 430.43 g/mol. Its IUPAC name is 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID162540477
Molecular FormulaC19H25F3N4O4
Molecular Weight430.43 g/mol
Exact Mass430.18
IUPAC Name1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H25F3N4O4/c1-2-3-5-13(11-25(30)12-27)18(29)26-9-4-6-15(26)17(28)24-16-10-14(7-8-23-16)19(20,21)22/h7-8,10,12-13,15,30H,2-6,9,11H2,1H3,(H,23,24,28)/t13-,15?/m1/s1
InChIKeySZHQAHJBONVHSD-AFYYWNPRSA-N
XLogP2.68
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
(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
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
(2S)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 25188709
(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763284
(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 24849322
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide
CID 143338723
N-hydroxy-N-[(2R)-2-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 10455515
(2S)-N-(4-tert-butyl-2-pyridinyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 58989942

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 162540477) is 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is SZHQAHJBONVHSD-AFYYWNPRSA-N. The full InChI is InChI=1S/C19H25F3N4O4/c1-2-3-5-13(11-25(30)12-27)18(29)26-9-4-6-15(26)17(28)24-16-10-14(7-8-23-16)19(20,21)22/h7-8,10,12-13,15,30H,2-6,9,11H2,1H3,(H,23,24,28)/t13-,15?/m1/s1.
What are the key properties of 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162540477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).