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

C24H23ClFN5O3 — CID 58619664

IUPAC(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@H](C)CN3C(=O)Nc3ccc(Cl)cn3)c(F)c2)c1=O
InChIInChI=1S/C24H23ClFN5O3/c1-14-10-20(31(13-14)24(34)29-21-8-5-16(25)12-27-21)22(32)28-19-7-6-17(11-18(19)26)30-9-3-4-15(2)23(30)33/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,28,32)(H,27,29,34)/t14-,20-/m1/s1
InChIKeyBGYFXOOTWOSDOW-JLTOFOAXSA-N
MW483.93 g/mol
LogP4.21
Rot. Bonds4

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

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 58619664) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
PubChem CID58619664
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@H](C)CN3C(=O)Nc3ccc(Cl)cn3)c(F)c2)c1=O
InChIInChI=1S/C24H23ClFN5O3/c1-14-10-20(31(13-14)24(34)29-21-8-5-16(25)12-27-21)22(32)28-19-7-6-17(11-18(19)26)30-9-3-4-15(2)23(30)33/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,28,32)(H,27,29,34)/t14-,20-/m1/s1
InChIKeyBGYFXOOTWOSDOW-JLTOFOAXSA-N
XLogP4.21
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide (CID 58619664) is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide is Cc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@H](C)CN3C(=O)Nc3ccc(Cl)cn3)c(F)c2)c1=O.
What is the InChIKey of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is BGYFXOOTWOSDOW-JLTOFOAXSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-14-10-20(31(13-14)24(34)29-21-8-5-16(25)12-27-21)22(32)28-19-7-6-17(11-18(19)26)30-9-3-4-15(2)23(30)33/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,28,32)(H,27,29,34)/t14-,20-/m1/s1.
What are the key properties of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 483.93 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 58619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).