2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C20H21F3N4O2 — CID 146525801

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC3(CC2)CC3)ccn1
InChIInChI=1S/C20H21F3N4O2/c1-29-16-11-14(2-7-24-16)26-18(28)15-10-13(20(21,22)23)12-25-17(15)27-8-5-19(3-4-19)6-9-27/h2,7,10-12H,3-6,8-9H2,1H3,(H,24,26,28)
InChIKeyLSYNSPDMPAZGNX-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.14
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525801) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525801
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC3(CC2)CC3)ccn1
InChIInChI=1S/C20H21F3N4O2/c1-29-16-11-14(2-7-24-16)26-18(28)15-10-13(20(21,22)23)12-25-17(15)27-8-5-19(3-4-19)6-9-27/h2,7,10-12H,3-6,8-9H2,1H3,(H,24,26,28)
InChIKeyLSYNSPDMPAZGNX-UHFFFAOYSA-N
XLogP4.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525801) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC3(CC2)CC3)ccn1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LSYNSPDMPAZGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-29-16-11-14(2-7-24-16)26-18(28)15-10-13(20(21,22)23)12-25-17(15)27-8-5-19(3-4-19)6-9-27/h2,7,10-12H,3-6,8-9H2,1H3,(H,24,26,28).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).