5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C18H21F3N6O — CID 166629423

IUPAC5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCC1CCC(Nc2nc(Nc3ccc(C(N)=O)nc3)ncc2C(F)(F)F)CC1
InChIInChI=1S/C18H21F3N6O/c1-10-2-4-11(5-3-10)25-16-13(18(19,20)21)9-24-17(27-16)26-12-6-7-14(15(22)28)23-8-12/h6-11H,2-5H2,1H3,(H2,22,28)(H2,24,25,26,27)
InChIKeyTUTOOGMEPVBLJF-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.72
Rot. Bonds5

About 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166629423) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166629423
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCC1CCC(Nc2nc(Nc3ccc(C(N)=O)nc3)ncc2C(F)(F)F)CC1
InChIInChI=1S/C18H21F3N6O/c1-10-2-4-11(5-3-10)25-16-13(18(19,20)21)9-24-17(27-16)26-12-6-7-14(15(22)28)23-8-12/h6-11H,2-5H2,1H3,(H2,22,28)(H2,24,25,26,27)
InChIKeyTUTOOGMEPVBLJF-UHFFFAOYSA-N
XLogP3.72
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-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 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166629423) is 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is CC1CCC(Nc2nc(Nc3ccc(C(N)=O)nc3)ncc2C(F)(F)F)CC1.
What is the InChIKey of 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is TUTOOGMEPVBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-10-2-4-11(5-3-10)25-16-13(18(19,20)21)9-24-17(27-16)26-12-6-7-14(15(22)28)23-8-12/h6-11H,2-5H2,1H3,(H2,22,28)(H2,24,25,26,27).
What are the key properties of 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166629423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).