N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C32H34F3N5O2 — CID 66700765

About N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 66700765) has the molecular formula C32H34F3N5O2 and a molecular weight of 577.65 g/mol. Its IUPAC name is N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 66700765
• Molecular Formula: C32H34F3N5O2
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.27
• IUPAC Name: N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21
• InChI: InChI=1S/C32H34F3N5O2/c1-38(30(42)27-6-5-24(21-37-27)32(33,34)35)28-7-4-22-2-3-23(20-26(22)28)29(41)40-18-12-31(13-19-40)10-16-39(17-11-31)25-8-14-36-15-9-25/h2-3,5-6,8-9,14-15,20-21,28H,4,7,10-13,16-19H2,1H3
• InChIKey: ZBHSEBRRFJDBCK-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 66700765) is N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21.

What is the InChIKey of N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is ZBHSEBRRFJDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O2/c1-38(30(42)27-6-5-24(21-37-27)32(33,34)35)28-7-4-22-2-3-23(20-26(22)28)29(41)40-18-12-31(13-19-40)10-16-39(17-11-31)25-8-14-36-15-9-25/h2-3,5-6,8-9,14-15,20-21,28H,4,7,10-13,16-19H2,1H3.

What are the key properties of N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?

N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 577.65 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 66700765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).