N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

C23H17F3N6O — CID 56599159

IUPACN-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19/h2-10,12-13H,11H2,1H3,(H,32,33)
InChIKeyYLAOBTREHNJFAQ-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.25
Rot. Bonds5

About N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 56599159) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID56599159
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19/h2-10,12-13H,11H2,1H3,(H,32,33)
InChIKeyYLAOBTREHNJFAQ-UHFFFAOYSA-N
XLogP4.25
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (CID 56599159) is N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is YLAOBTREHNJFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19/h2-10,12-13H,11H2,1H3,(H,32,33).
What are the key properties of N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 56599159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).