N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane

C22H28F3N5O3 — CID 169111952

IUPACN'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane
SMILESCCc1cc(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cn2)cnc1N.COCCC1CC1
InChIInChI=1S/C16H16F3N5O2.C6H12O/c1-2-9-5-12(8-22-13(9)20)24-15(26)14(25)23-7-11-4-3-10(6-21-11)16(17,18)19;1-7-5-4-6-2-3-6/h3-6,8H,2,7H2,1H3,(H2,20,22)(H,23,25)(H,24,26);6H,2-5H2,1H3
InChIKeyQESORWZNOGJTCM-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.33
Rot. Bonds7

About N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane

N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane (PubChem CID 169111952) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane.

Molecular Properties

Compound NameN'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane
PubChem CID169111952
Molecular FormulaC22H28F3N5O3
Molecular Weight467.49 g/mol
Exact Mass467.21
IUPAC NameN'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane
SMILESCCc1cc(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cn2)cnc1N.COCCC1CC1
InChIInChI=1S/C16H16F3N5O2.C6H12O/c1-2-9-5-12(8-22-13(9)20)24-15(26)14(25)23-7-11-4-3-10(6-21-11)16(17,18)19;1-7-5-4-6-2-3-6/h3-6,8H,2,7H2,1H3,(H2,20,22)(H,23,25)(H,24,26);6H,2-5H2,1H3
InChIKeyQESORWZNOGJTCM-UHFFFAOYSA-N
XLogP3.33
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane?
The IUPAC name of N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane (CID 169111952) is N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane.
What is the SMILES notation for N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane?
The canonical SMILES for N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane is CCc1cc(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cn2)cnc1N.COCCC1CC1.
What is the InChIKey of N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane?
The InChIKey is QESORWZNOGJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2.C6H12O/c1-2-9-5-12(8-22-13(9)20)24-15(26)14(25)23-7-11-4-3-10(6-21-11)16(17,18)19;1-7-5-4-6-2-3-6/h3-6,8H,2,7H2,1H3,(H2,20,22)(H,23,25)(H,24,26);6H,2-5H2,1H3.
What are the key properties of N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane?
N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane has a molecular weight of 467.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane is sourced from PubChem (CID 169111952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).