1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide

C23H21ClFN5O3 — CID 58748223

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H21ClFN5O3/c24-16-4-7-20(26-12-16)28-21(31)14-29-10-8-15(13-29)23(33)27-19-6-5-17(11-18(19)25)30-9-2-1-3-22(30)32/h1-7,9,11-12,15H,8,10,13-14H2,(H,27,33)(H,26,28,31)
InChIKeyGMSFXFUEIDBMOR-UHFFFAOYSA-N
MW469.90 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 58748223) has the molecular formula C23H21ClFN5O3 and a molecular weight of 469.90 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID58748223
Molecular FormulaC23H21ClFN5O3
Molecular Weight469.90 g/mol
Exact Mass469.13
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H21ClFN5O3/c24-16-4-7-20(26-12-16)28-21(31)14-29-10-8-15(13-29)23(33)27-19-6-5-17(11-18(19)25)30-9-2-1-3-22(30)32/h1-7,9,11-12,15H,8,10,13-14H2,(H,27,33)(H,26,28,31)
InChIKeyGMSFXFUEIDBMOR-UHFFFAOYSA-N
XLogP2.92
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide (CID 58748223) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide is O=C(CN1CCC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is GMSFXFUEIDBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O3/c24-16-4-7-20(26-12-16)28-21(31)14-29-10-8-15(13-29)23(33)27-19-6-5-17(11-18(19)25)30-9-2-1-3-22(30)32/h1-7,9,11-12,15H,8,10,13-14H2,(H,27,33)(H,26,28,31).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 58748223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).