N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

C23H26F3N5O3 — CID 169111922

IUPACN-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
SMILESCOCC(C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(N)c(C2CC2)c1
InChIInChI=1S/C23H26F3N5O3/c1-34-12-19(14-4-5-14)31(11-16-7-6-15(9-28-16)23(24,25)26)22(33)21(32)30-17-8-18(13-2-3-13)20(27)29-10-17/h6-10,13-14,19H,2-5,11-12H2,1H3,(H2,27,29)(H,30,32)
InChIKeyGZWOJEVTLBLKFE-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.35
Rot. Bonds8

About N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (PubChem CID 169111922) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

Molecular Properties

Compound NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
PubChem CID169111922
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
SMILESCOCC(C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(N)c(C2CC2)c1
InChIInChI=1S/C23H26F3N5O3/c1-34-12-19(14-4-5-14)31(11-16-7-6-15(9-28-16)23(24,25)26)22(33)21(32)30-17-8-18(13-2-3-13)20(27)29-10-17/h6-10,13-14,19H,2-5,11-12H2,1H3,(H2,27,29)(H,30,32)
InChIKeyGZWOJEVTLBLKFE-UHFFFAOYSA-N
XLogP3.35
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
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-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (CID 169111922) is N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.
What is the SMILES notation for N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The canonical SMILES for N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is COCC(C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(N)c(C2CC2)c1.
What is the InChIKey of N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The InChIKey is GZWOJEVTLBLKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-34-12-19(14-4-5-14)31(11-16-7-6-15(9-28-16)23(24,25)26)22(33)21(32)30-17-8-18(13-2-3-13)20(27)29-10-17/h6-10,13-14,19H,2-5,11-12H2,1H3,(H2,27,29)(H,30,32).
What are the key properties of N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide has a molecular weight of 477.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-cyclopropyl-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is sourced from PubChem (CID 169111922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).