2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide

C25H19F3N6O2 — CID 58922456

IUPAC2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
SMILESCC1=C(C(=O)n2ccnc2)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N6O2/c1-14-19(24(36)33-10-9-32-13-33)20(16-7-5-15(12-29)6-8-16)21(23(31)35)22(30)34(14)18-4-2-3-17(11-18)25(26,27)28/h2-11,13,20H,30H2,1H3,(H2,31,35)
InChIKeyUPVIIQNKOJYABG-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide

2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide (PubChem CID 58922456) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
PubChem CID58922456
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
SMILESCC1=C(C(=O)n2ccnc2)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N6O2/c1-14-19(24(36)33-10-9-32-13-33)20(16-7-5-15(12-29)6-8-16)21(23(31)35)22(30)34(14)18-4-2-3-17(11-18)25(26,27)28/h2-11,13,20H,30H2,1H3,(H2,31,35)
InChIKeyUPVIIQNKOJYABG-UHFFFAOYSA-N
XLogP3.65
TPSA131.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-2-imino-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 91031594
6-amino-4-(4-cyanophenyl)-2-methyl-5-(propan-2-ylcarbamoyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid
CID 71054326
5-carbamoyl-4-(4-cyanophenyl)-2-methyl-6-(methylamino)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid
CID 67558493
5-O-ethyl 3-O-propan-2-yl 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922405
3-O-ethyl 5-O-(2-hydroxyethyl) 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922517
5-O-ethyl 3-O-(2-trimethylsilylethyl) 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922512
ethyl 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate
CID 21110161
3-O-butyl 5-O-propan-2-yl 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922450
3-carbamoyl-4-(4-cyanophenyl)-2-imino-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid
CID 91457896
3-O-butyl 5-O-[(2S)-4-hydroxy-3-oxopentan-2-yl] 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 67556113
7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 76668933
ethyl 2-amino-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 66628216

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide (CID 58922456) is 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide is CC1=C(C(=O)n2ccnc2)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The InChIKey is UPVIIQNKOJYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-14-19(24(36)33-10-9-32-13-33)20(16-7-5-15(12-29)6-8-16)21(23(31)35)22(30)34(14)18-4-2-3-17(11-18)25(26,27)28/h2-11,13,20H,30H2,1H3,(H2,31,35).
What are the key properties of 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyanophenyl)-5-(imidazole-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide is sourced from PubChem (CID 58922456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).