N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C25H23F2N3O2 — CID 127053921

IUPACN-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(C#N)cc2)cn1C(C)C
InChIInChI=1S/C25H23F2N3O2/c1-15(2)30-14-21(25(32)29-13-18-9-7-17(12-28)8-10-18)23(31)22(16(30)3)19-5-4-6-20(11-19)24(26)27/h4-11,14-15,24H,13H2,1-3H3,(H,29,32)
InChIKeyUTEMDHGTVVPITD-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.14
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 127053921) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID127053921
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC NameN-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(C#N)cc2)cn1C(C)C
InChIInChI=1S/C25H23F2N3O2/c1-15(2)30-14-21(25(32)29-13-18-9-7-17(12-28)8-10-18)23(31)22(16(30)3)19-5-4-6-20(11-19)24(26)27/h4-11,14-15,24H,13H2,1-3H3,(H,29,32)
InChIKeyUTEMDHGTVVPITD-UHFFFAOYSA-N
XLogP5.14
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-5-acetyl-3-benzyl-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
CID 9548418
(6S)-5-acetyl-3-benzyl-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
CID 9548421
N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide
CID 70688915
N-[(4-cyanophenyl)methyl]-6-methyl-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 127053912
6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 127053916
5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyridine-3-carboxamide
CID 127053929
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464270
N-[(4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464412
2-oxo-N-[phenyl-(4-prop-1-en-2-ylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464415
2-oxo-N-[phenyl-[4-[(E)-prop-1-enyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464428
2-oxo-N-[phenyl-(4-propylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464457

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 127053921) is N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(C#N)cc2)cn1C(C)C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UTEMDHGTVVPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-15(2)30-14-21(25(32)29-13-18-9-7-17(12-28)8-10-18)23(31)22(16(30)3)19-5-4-6-20(11-19)24(26)27/h4-11,14-15,24H,13H2,1-3H3,(H,29,32).
What are the key properties of N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 127053921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).