(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide

C18H20F3N5O — CID 126444471

IUPAC(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)N2CCCC[C@H]2c2ccccn2)n1
InChIInChI=1S/C18H20F3N5O/c1-12-10-15(18(19,20)21)25-16(24-12)11-23-17(27)26-9-5-3-7-14(26)13-6-2-4-8-22-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeyUFCDASHUWAIBLA-AWEZNQCLSA-N
MW379.39 g/mol
LogP3.64
Rot. Bonds3

About (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide

(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 126444471) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID126444471
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)N2CCCC[C@H]2c2ccccn2)n1
InChIInChI=1S/C18H20F3N5O/c1-12-10-15(18(19,20)21)25-16(24-12)11-23-17(27)26-9-5-3-7-14(26)13-6-2-4-8-22-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeyUFCDASHUWAIBLA-AWEZNQCLSA-N
XLogP3.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide (CID 126444471) is (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide is Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCCC[C@H]2c2ccccn2)n1.
What is the InChIKey of (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is UFCDASHUWAIBLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-12-10-15(18(19,20)21)25-16(24-12)11-23-17(27)26-9-5-3-7-14(26)13-6-2-4-8-22-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,23,27)/t14-/m0/s1.
What are the key properties of (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126444471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).