6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C23H22F3N3O2 — CID 127053909

IUPAC6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccncc2)cn1C(C)C
InChIInChI=1S/C23H22F3N3O2/c1-14(2)29-13-19(22(31)28-12-16-7-9-27-10-8-16)21(30)20(15(29)3)17-5-4-6-18(11-17)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,28,31)
InChIKeyHGKVRKBBNDOVNG-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.75
Rot. Bonds5

About 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 127053909) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID127053909
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccncc2)cn1C(C)C
InChIInChI=1S/C23H22F3N3O2/c1-14(2)29-13-19(22(31)28-12-16-7-9-27-10-8-16)21(30)20(15(29)3)17-5-4-6-18(11-17)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,28,31)
InChIKeyHGKVRKBBNDOVNG-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 127053909) is 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccncc2)cn1C(C)C.
What is the InChIKey of 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is HGKVRKBBNDOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-14(2)29-13-19(22(31)28-12-16-7-9-27-10-8-16)21(30)20(15(29)3)17-5-4-6-18(11-17)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,28,31).
What are the key properties of 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-propan-2-yl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 127053909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).