(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide

C22H21ClFN5O2 — CID 162664142

IUPAC(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)[C@H]1CNCCO1
InChIInChI=1S/C22H21ClFN5O2/c23-17-12-27-21(29-22(30)19-13-25-7-8-31-19)10-16(17)18-5-2-6-20(28-18)26-11-14-3-1-4-15(24)9-14/h1-6,9-10,12,19,25H,7-8,11,13H2,(H,26,28)(H,27,29,30)/t19-/m1/s1
InChIKeyFLOFPILSSAJAMS-LJQANCHMSA-N
MW441.89 g/mol
LogP3.48
Rot. Bonds6

About (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide

(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 162664142) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
PubChem CID162664142
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC Name(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)[C@H]1CNCCO1
InChIInChI=1S/C22H21ClFN5O2/c23-17-12-27-21(29-22(30)19-13-25-7-8-31-19)10-16(17)18-5-2-6-20(28-18)26-11-14-3-1-4-15(24)9-14/h1-6,9-10,12,19,25H,7-8,11,13H2,(H,26,28)(H,27,29,30)/t19-/m1/s1
InChIKeyFLOFPILSSAJAMS-LJQANCHMSA-N
XLogP3.48
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide (CID 162664142) is (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide is O=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is FLOFPILSSAJAMS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c23-17-12-27-21(29-22(30)19-13-25-7-8-31-19)10-16(17)18-5-2-6-20(28-18)26-11-14-3-1-4-15(24)9-14/h1-6,9-10,12,19,25H,7-8,11,13H2,(H,26,28)(H,27,29,30)/t19-/m1/s1.
What are the key properties of (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
(2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 162664142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).