1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide

C22H33N5O5 — CID 76652352

IUPAC1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCCCCC(CN(C=O)OC1CCCCO1)C(=O)N1CCCC1C(=O)Nc1cccnn1
InChIInChI=1S/C22H33N5O5/c1-2-3-8-17(15-26(16-28)32-20-11-4-5-14-31-20)22(30)27-13-7-9-18(27)21(29)24-19-10-6-12-23-25-19/h6,10,12,16-18,20H,2-5,7-9,11,13-15H2,1H3,(H,24,25,29)
InChIKeyKIBAZEUVDLEUBA-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.13
Rot. Bonds11

About 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide

1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide (PubChem CID 76652352) has the molecular formula C22H33N5O5 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
PubChem CID76652352
Molecular FormulaC22H33N5O5
Molecular Weight447.54 g/mol
Exact Mass447.25
IUPAC Name1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCCCCC(CN(C=O)OC1CCCCO1)C(=O)N1CCCC1C(=O)Nc1cccnn1
InChIInChI=1S/C22H33N5O5/c1-2-3-8-17(15-26(16-28)32-20-11-4-5-14-31-20)22(30)27-13-7-9-18(27)21(29)24-19-10-6-12-23-25-19/h6,10,12,16-18,20H,2-5,7-9,11,13-15H2,1H3,(H,24,25,29)
InChIKeyKIBAZEUVDLEUBA-UHFFFAOYSA-N
XLogP2.13
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763324
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-pyridazin-3-ylpyrazolidine-3-carboxamide
CID 77136768
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
1-[4-cyclopropyl-2-[[formyl(oxan-2-yloxy)amino]methyl]butanoyl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 76652330
(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-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
(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-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
(2S)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 25188709
(2S)-N-(5-fluoro-2-pyridinyl)-1-[(2R)-2-[(phenylmethoxyamino)methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 11495941

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide (CID 76652352) is 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide is CCCCC(CN(C=O)OC1CCCCO1)C(=O)N1CCCC1C(=O)Nc1cccnn1.
What is the InChIKey of 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is KIBAZEUVDLEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O5/c1-2-3-8-17(15-26(16-28)32-20-11-4-5-14-31-20)22(30)27-13-7-9-18(27)21(29)24-19-10-6-12-23-25-19/h6,10,12,16-18,20H,2-5,7-9,11,13-15H2,1H3,(H,24,25,29).
What are the key properties of 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[formyl(oxan-2-yloxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 76652352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).