1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one

C16H16F3N5O2 — CID 91631489

IUPAC1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1=O
InChIInChI=1S/C16H16F3N5O2/c1-22-4-2-3-11(14(22)25)15(26)24-7-5-23(6-8-24)13-9-12(16(17,18)19)20-10-21-13/h2-4,9-10H,5-8H2,1H3
InChIKeyKPWLVDYUHXLBII-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.16
Rot. Bonds2

About 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one

1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one (PubChem CID 91631489) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one
PubChem CID91631489
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1=O
InChIInChI=1S/C16H16F3N5O2/c1-22-4-2-3-11(14(22)25)15(26)24-7-5-23(6-8-24)13-9-12(16(17,18)19)20-10-21-13/h2-4,9-10H,5-8H2,1H3
InChIKeyKPWLVDYUHXLBII-UHFFFAOYSA-N
XLogP1.16
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one (CID 91631489) is 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one is Cn1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is KPWLVDYUHXLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-22-4-2-3-11(14(22)25)15(26)24-7-5-23(6-8-24)13-9-12(16(17,18)19)20-10-21-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one?
1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 367.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 91631489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).