5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C16H18F3N7O — CID 166626910

IUPAC5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(N)CC3)n2)cn1
InChIInChI=1S/C16H18F3N7O/c17-16(18,19)11-8-23-15(24-10-1-2-12(13(21)27)22-7-10)25-14(11)26-5-3-9(20)4-6-26/h1-2,7-9H,3-6,20H2,(H2,21,27)(H,23,24,25)
InChIKeyZLHRBBMIUWSRQK-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.66
Rot. Bonds4

About 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166626910) has the molecular formula C16H18F3N7O and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166626910
Molecular FormulaC16H18F3N7O
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC Name5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(N)CC3)n2)cn1
InChIInChI=1S/C16H18F3N7O/c17-16(18,19)11-8-23-15(24-10-1-2-12(13(21)27)22-7-10)25-14(11)26-5-3-9(20)4-6-26/h1-2,7-9H,3-6,20H2,(H2,21,27)(H,23,24,25)
InChIKeyZLHRBBMIUWSRQK-UHFFFAOYSA-N
XLogP1.66
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166626910) is 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(N)CC3)n2)cn1.
What is the InChIKey of 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is ZLHRBBMIUWSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O/c17-16(18,19)11-8-23-15(24-10-1-2-12(13(21)27)22-7-10)25-14(11)26-5-3-9(20)4-6-26/h1-2,7-9H,3-6,20H2,(H2,21,27)(H,23,24,25).
What are the key properties of 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-aminopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166626910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).