N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

C17H18F3N5O — CID 91892410

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cccnc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O/c1-11-22-14(17(18,19)20)9-15(23-11)25-7-4-13(5-8-25)24-16(26)12-3-2-6-21-10-12/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,24,26)
InChIKeyFBDPYSHCAHFIDU-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.60
Rot. Bonds3

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 91892410) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID91892410
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cccnc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O/c1-11-22-14(17(18,19)20)9-15(23-11)25-7-4-13(5-8-25)24-16(26)12-3-2-6-21-10-12/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,24,26)
InChIKeyFBDPYSHCAHFIDU-UHFFFAOYSA-N
XLogP2.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 91892410) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is Cc1nc(N2CCC(NC(=O)c3cccnc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FBDPYSHCAHFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-11-22-14(17(18,19)20)9-15(23-11)25-7-4-13(5-8-25)24-16(26)12-3-2-6-21-10-12/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,24,26).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91892410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).