(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide

C19H29FN4O3 — CID 135010614

IUPAC(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C)C)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C19H29FN4O3/c1-4-5-7-14(12-22(2)3)19(26)23-11-6-8-16(23)18(25)21-17-10-9-15(20)13-24(17)27/h9-10,13-14,16,27H,4-8,11-12H2,1-3H3/b21-17+/t14-,16+/m1/s1
InChIKeyOKIZSLFBBPXGPV-MPDHUYTDSA-N
MW380.46 g/mol
LogP1.65
Rot. Bonds7

About (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (PubChem CID 135010614) has the molecular formula C19H29FN4O3 and a molecular weight of 380.46 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
PubChem CID135010614
Molecular FormulaC19H29FN4O3
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC Name(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(C)C)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C19H29FN4O3/c1-4-5-7-14(12-22(2)3)19(26)23-11-6-8-16(23)18(25)21-17-10-9-15(20)13-24(17)27/h9-10,13-14,16,27H,4-8,11-12H2,1-3H3/b21-17+/t14-,16+/m1/s1
InChIKeyOKIZSLFBBPXGPV-MPDHUYTDSA-N
XLogP1.65
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (CID 135010614) is (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is CCCC[C@H](CN(C)C)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O.
What is the InChIKey of (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The InChIKey is OKIZSLFBBPXGPV-MPDHUYTDSA-N. The full InChI is InChI=1S/C19H29FN4O3/c1-4-5-7-14(12-22(2)3)19(26)23-11-6-8-16(23)18(25)21-17-10-9-15(20)13-24(17)27/h9-10,13-14,16,27H,4-8,11-12H2,1-3H3/b21-17+/t14-,16+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(dimethylamino)methyl]hexanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is sourced from PubChem (CID 135010614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).