N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide

C27H21F6N3O2 — CID 23502824

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)on1
InChIInChI=1S/C27H21F6N3O2/c1-15-6-4-5-7-20(15)21-12-23(24-8-16(2)35-38-24)34-13-22(21)25(37)36(3)14-17-9-18(26(28,29)30)11-19(10-17)27(31,32)33/h4-13H,14H2,1-3H3
InChIKeyRYDOIATVECPUJR-UHFFFAOYSA-N
MW533.47 g/mol
LogP7.33
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 23502824) has the molecular formula C27H21F6N3O2 and a molecular weight of 533.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID23502824
Molecular FormulaC27H21F6N3O2
Molecular Weight533.47 g/mol
Exact Mass533.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)on1
InChIInChI=1S/C27H21F6N3O2/c1-15-6-4-5-7-20(15)21-12-23(24-8-16(2)35-38-24)34-13-22(21)25(37)36(3)14-17-9-18(26(28,29)30)11-19(10-17)27(31,32)33/h4-13H,14H2,1-3H3
InChIKeyRYDOIATVECPUJR-UHFFFAOYSA-N
XLogP7.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide (CID 23502824) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1cc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)on1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is RYDOIATVECPUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F6N3O2/c1-15-6-4-5-7-20(15)21-12-23(24-8-16(2)35-38-24)34-13-22(21)25(37)36(3)14-17-9-18(26(28,29)30)11-19(10-17)27(31,32)33/h4-13H,14H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 533.47 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23502824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).