2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid

C24H25F3N4O3 — CID 91800528

IUPAC2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O.C2HF3O2/c1-18-8-2-3-9-19(18)14-25-22(27)17-26(15-20-10-4-6-12-23-20)16-21-11-5-7-13-24-21;3-2(4,5)1(6)7/h2-13H,14-17H2,1H3,(H,25,27);(H,6,7)
InChIKeyMMWSSWDFODGFCO-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.74
Rot. Bonds8

About 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid

2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 91800528) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID91800528
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O.C2HF3O2/c1-18-8-2-3-9-19(18)14-25-22(27)17-26(15-20-10-4-6-12-23-20)16-21-11-5-7-13-24-21;3-2(4,5)1(6)7/h2-13H,14-17H2,1H3,(H,25,27);(H,6,7)
InChIKeyMMWSSWDFODGFCO-UHFFFAOYSA-N
XLogP3.74
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid (CID 91800528) is 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid is Cc1ccccc1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MMWSSWDFODGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.C2HF3O2/c1-18-8-2-3-9-19(18)14-25-22(27)17-26(15-20-10-4-6-12-23-20)16-21-11-5-7-13-24-21;3-2(4,5)1(6)7/h2-13H,14-17H2,1H3,(H,25,27);(H,6,7).
What are the key properties of 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid?
2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 91800528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).