(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide

C18H19F3N4O2 — CID 44628971

IUPAC(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide
SMILESO=C(Nc1ncccn1)[C@H](CC1CCCC1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-7-15(26)25(11-13)14(10-12-4-1-2-5-12)16(27)24-17-22-8-3-9-23-17/h3,6-9,11-12,14H,1-2,4-5,10H2,(H,22,23,24,27)/t14-/m0/s1
InChIKeyCTWJXJSSHHDZTK-AWEZNQCLSA-N
MW380.37 g/mol
LogP3.42
Rot. Bonds5

About (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide

(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide (PubChem CID 44628971) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide
PubChem CID44628971
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide
SMILESO=C(Nc1ncccn1)[C@H](CC1CCCC1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-7-15(26)25(11-13)14(10-12-4-1-2-5-12)16(27)24-17-22-8-3-9-23-17/h3,6-9,11-12,14H,1-2,4-5,10H2,(H,22,23,24,27)/t14-/m0/s1
InChIKeyCTWJXJSSHHDZTK-AWEZNQCLSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide (CID 44628971) is (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide is O=C(Nc1ncccn1)[C@H](CC1CCCC1)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is CTWJXJSSHHDZTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-7-15(26)25(11-13)14(10-12-4-1-2-5-12)16(27)24-17-22-8-3-9-23-17/h3,6-9,11-12,14H,1-2,4-5,10H2,(H,22,23,24,27)/t14-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide?
(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 380.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 44628971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).