5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide

C26H20F4N4O — CID 56597516

IUPAC5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C26H20F4N4O/c1-15-9-22(32-14-21(15)18-4-3-5-20(27)10-18)25(35)34-13-17-8-16(2)24(33-12-17)19-6-7-31-23(11-19)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,35)
InChIKeyKXOGDAPDLRNEQR-UHFFFAOYSA-N
MW480.47 g/mol
LogP5.91
Rot. Bonds5

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

5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 56597516) has the molecular formula C26H20F4N4O and a molecular weight of 480.47 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID56597516
Molecular FormulaC26H20F4N4O
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC Name5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C26H20F4N4O/c1-15-9-22(32-14-21(15)18-4-3-5-20(27)10-18)25(35)34-13-17-8-16(2)24(33-12-17)19-6-7-31-23(11-19)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,35)
InChIKeyKXOGDAPDLRNEQR-UHFFFAOYSA-N
XLogP5.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 56597516) is 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is KXOGDAPDLRNEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O/c1-15-9-22(32-14-21(15)18-4-3-5-20(27)10-18)25(35)34-13-17-8-16(2)24(33-12-17)19-6-7-31-23(11-19)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,35).
What are the key properties of 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 480.47 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-methyl-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56597516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).