2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide

C25H24F3N5O2 — CID 71544468

IUPAC2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4cnc(N)nc4)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C25H24F3N5O2/c1-15-21(25(26,27)28)9-10-22(32-15)35-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)33-23(34)18-13-30-24(29)31-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,33,34)(H2,29,30,31)/b16-11-
InChIKeyIJFDDHJTAKNOQE-WJDWOHSUSA-N
MW483.49 g/mol
LogP5.33
Rot. Bonds5

About 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide

2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 71544468) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID71544468
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4cnc(N)nc4)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C25H24F3N5O2/c1-15-21(25(26,27)28)9-10-22(32-15)35-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)33-23(34)18-13-30-24(29)31-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,33,34)(H2,29,30,31)/b16-11-
InChIKeyIJFDDHJTAKNOQE-WJDWOHSUSA-N
XLogP5.33
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide (CID 71544468) is 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide is Cc1nc(Oc2cccc(C=C3CCC(NC(=O)c4cnc(N)nc4)CC3)c2)ccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is IJFDDHJTAKNOQE-WJDWOHSUSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-21(25(26,27)28)9-10-22(32-15)35-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)33-23(34)18-13-30-24(29)31-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,33,34)(H2,29,30,31)/b16-11-.
What are the key properties of 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide?
2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).