(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide

C18H19F3N4O2 — CID 44628968

IUPAC(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide
SMILESO=C(Nc1ccncn1)[C@H](CC1CCCC1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-5-6-16(26)25(10-13)14(9-12-3-1-2-4-12)17(27)24-15-7-8-22-11-23-15/h5-8,10-12,14H,1-4,9H2,(H,22,23,24,27)/t14-/m0/s1
InChIKeyQGTTURJZGSMKQQ-AWEZNQCLSA-N
MW380.37 g/mol
LogP3.42
Rot. Bonds5

About (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide

(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide (PubChem CID 44628968) 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-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide
PubChem CID44628968
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide
SMILESO=C(Nc1ccncn1)[C@H](CC1CCCC1)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-5-6-16(26)25(10-13)14(9-12-3-1-2-4-12)17(27)24-15-7-8-22-11-23-15/h5-8,10-12,14H,1-4,9H2,(H,22,23,24,27)/t14-/m0/s1
InChIKeyQGTTURJZGSMKQQ-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-4-ylpropanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide (CID 44628968) is (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-ylpropanamide is O=C(Nc1ccncn1)[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-4-ylpropanamide?
The InChIKey is QGTTURJZGSMKQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-5-6-16(26)25(10-13)14(9-12-3-1-2-4-12)17(27)24-15-7-8-22-11-23-15/h5-8,10-12,14H,1-4,9H2,(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-4-ylpropanamide?
(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-4-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-4-ylpropanamide is sourced from PubChem (CID 44628968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).