(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide

C14H13ClFN5O2 — CID 137291412

IUPAC(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccnc(F)c2)[nH]c(=O)c1Cl
InChIInChI=1S/C14H13ClFN5O2/c15-10-13(21-5-1-2-8(21)11(17)22)19-12(20-14(10)23)7-3-4-18-9(16)6-7/h3-4,6,8H,1-2,5H2,(H2,17,22)(H,19,20,23)/t8-/m1/s1
InChIKeyVIYUHFIWOCUALU-MRVPVSSYSA-N
MW337.74 g/mol
LogP1.08
Rot. Bonds3

About (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 137291412) has the molecular formula C14H13ClFN5O2 and a molecular weight of 337.74 g/mol. Its IUPAC name is (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID137291412
Molecular FormulaC14H13ClFN5O2
Molecular Weight337.74 g/mol
Exact Mass337.07
IUPAC Name(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccnc(F)c2)[nH]c(=O)c1Cl
InChIInChI=1S/C14H13ClFN5O2/c15-10-13(21-5-1-2-8(21)11(17)22)19-12(20-14(10)23)7-3-4-18-9(16)6-7/h3-4,6,8H,1-2,5H2,(H2,17,22)(H,19,20,23)/t8-/m1/s1
InChIKeyVIYUHFIWOCUALU-MRVPVSSYSA-N
XLogP1.08
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 137291412) is (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1nc(-c2ccnc(F)c2)[nH]c(=O)c1Cl.
What is the InChIKey of (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VIYUHFIWOCUALU-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13ClFN5O2/c15-10-13(21-5-1-2-8(21)11(17)22)19-12(20-14(10)23)7-3-4-18-9(16)6-7/h3-4,6,8H,1-2,5H2,(H2,17,22)(H,19,20,23)/t8-/m1/s1.
What are the key properties of (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 337.74 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137291412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).