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

C17H19F3N6O2 — CID 166635487

IUPAC5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)12-8-23-16(25-10-3-6-13(14(21)28)22-7-10)26-15(12)24-9-1-4-11(27)5-2-9/h3,6-9,11,27H,1-2,4-5H2,(H2,21,28)(H2,23,24,25,26)
InChIKeyWOTJZQMSLYWZGS-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.45
Rot. Bonds5

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

5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166635487) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166635487
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)12-8-23-16(25-10-3-6-13(14(21)28)22-7-10)26-15(12)24-9-1-4-11(27)5-2-9/h3,6-9,11,27H,1-2,4-5H2,(H2,21,28)(H2,23,24,25,26)
InChIKeyWOTJZQMSLYWZGS-UHFFFAOYSA-N
XLogP2.45
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166635487) is 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC3CCC(O)CC3)n2)cn1.
What is the InChIKey of 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is WOTJZQMSLYWZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c18-17(19,20)12-8-23-16(25-10-3-6-13(14(21)28)22-7-10)26-15(12)24-9-1-4-11(27)5-2-9/h3,6-9,11,27H,1-2,4-5H2,(H2,21,28)(H2,23,24,25,26).
What are the key properties of 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166635487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).