(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide

C22H19ClFN5O3 — CID 24997732

IUPAC(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C22H19ClFN5O3/c23-13-4-7-19(26-10-13)28-22(32)16-12-25-11-15(16)21(31)27-18-6-5-14(9-17(18)24)29-8-2-1-3-20(29)30/h1-10,15-16,25H,11-12H2,(H,27,31)(H,26,28,32)/t15-,16-/m0/s1
InChIKeyFTQZLCSFOJPPMA-HOTGVXAUSA-N
MW455.88 g/mol
LogP2.44
Rot. Bonds5

About (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide

(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 24997732) has the molecular formula C22H19ClFN5O3 and a molecular weight of 455.88 g/mol. Its IUPAC name is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
PubChem CID24997732
Molecular FormulaC22H19ClFN5O3
Molecular Weight455.88 g/mol
Exact Mass455.12
IUPAC Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C22H19ClFN5O3/c23-13-4-7-19(26-10-13)28-22(32)16-12-25-11-15(16)21(31)27-18-6-5-14(9-17(18)24)29-8-2-1-3-20(29)30/h1-10,15-16,25H,11-12H2,(H,27,31)(H,26,28,32)/t15-,16-/m0/s1
InChIKeyFTQZLCSFOJPPMA-HOTGVXAUSA-N
XLogP2.44
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide (CID 24997732) is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide is O=C(Nc1ccc(Cl)cn1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is FTQZLCSFOJPPMA-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H19ClFN5O3/c23-13-4-7-19(26-10-13)28-22(32)16-12-25-11-15(16)21(31)27-18-6-5-14(9-17(18)24)29-8-2-1-3-20(29)30/h1-10,15-16,25H,11-12H2,(H,27,31)(H,26,28,32)/t15-,16-/m0/s1.
What are the key properties of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 455.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 24997732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).