N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

C22H25FN4O4 — CID 91904325

IUPACN-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCOCC3)C2)cc1F
InChIInChI=1S/C22H25FN4O4/c1-15-4-5-16(13-19(15)23)25-22(29)27-8-6-17(14-27)31-20-18(3-2-7-24-20)21(28)26-9-11-30-12-10-26/h2-5,7,13,17H,6,8-12,14H2,1H3,(H,25,29)
InChIKeyCMKPRZDZOLUONS-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.69
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (PubChem CID 91904325) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
PubChem CID91904325
Molecular FormulaC22H25FN4O4
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCOCC3)C2)cc1F
InChIInChI=1S/C22H25FN4O4/c1-15-4-5-16(13-19(15)23)25-22(29)27-8-6-17(14-27)31-20-18(3-2-7-24-20)21(28)26-9-11-30-12-10-26/h2-5,7,13,17H,6,8-12,14H2,1H3,(H,25,29)
InChIKeyCMKPRZDZOLUONS-UHFFFAOYSA-N
XLogP2.69
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (CID 91904325) is N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCOCC3)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The InChIKey is CMKPRZDZOLUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-15-4-5-16(13-19(15)23)25-22(29)27-8-6-17(14-27)31-20-18(3-2-7-24-20)21(28)26-9-11-30-12-10-26/h2-5,7,13,17H,6,8-12,14H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91904325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).