3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide

C23H22F2N4O2 — CID 86297480

IUPAC3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H22F2N4O2/c1-15-20(16-5-6-26-21(12-16)29-7-9-31-10-8-29)13-19(14-27-15)28-23(30)18-4-2-3-17(11-18)22(24)25/h2-6,11-14,22H,7-10H2,1H3,(H,28,30)
InChIKeyAUZAPTUBDQMDLQ-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.48
Rot. Bonds5

About 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 86297480) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
PubChem CID86297480
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H22F2N4O2/c1-15-20(16-5-6-26-21(12-16)29-7-9-31-10-8-29)13-19(14-27-15)28-23(30)18-4-2-3-17(11-18)22(24)25/h2-6,11-14,22H,7-10H2,1H3,(H,28,30)
InChIKeyAUZAPTUBDQMDLQ-UHFFFAOYSA-N
XLogP4.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide (CID 86297480) is 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide is Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is AUZAPTUBDQMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-15-20(16-5-6-26-21(12-16)29-7-9-31-10-8-29)13-19(14-27-15)28-23(30)18-4-2-3-17(11-18)22(24)25/h2-6,11-14,22H,7-10H2,1H3,(H,28,30).
What are the key properties of 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 424.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 86297480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).