(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C16H16F3N5O2 — CID 59374453

IUPAC(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)9-22-15(26)11-2-1-7-24(11)12-5-6-20-14(23-12)10-3-4-13(25)21-8-10/h3-6,8,11H,1-2,7,9H2,(H,21,25)(H,22,26)/t11-/m1/s1
InChIKeyXUQJDSKCOQBHLQ-LLVKDONJSA-N
MW367.33 g/mol
LogP1.48
Rot. Bonds4

About (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 59374453) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID59374453
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)9-22-15(26)11-2-1-7-24(11)12-5-6-20-14(23-12)10-3-4-13(25)21-8-10/h3-6,8,11H,1-2,7,9H2,(H,21,25)(H,22,26)/t11-/m1/s1
InChIKeyXUQJDSKCOQBHLQ-LLVKDONJSA-N
XLogP1.48
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 59374453) is (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(=O)[nH]c2)n1.
What is the InChIKey of (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is XUQJDSKCOQBHLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)9-22-15(26)11-2-1-7-24(11)12-5-6-20-14(23-12)10-3-4-13(25)21-8-10/h3-6,8,11H,1-2,7,9H2,(H,21,25)(H,22,26)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59374453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).