3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide

C26H27F2N5O3 — CID 90461005

IUPAC3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1
InChIInChI=1S/C26H27F2N5O3/c1-16-22(12-20(13-29-16)30-26(35)18-4-2-3-17(9-18)25(27)28)19-10-23(32-5-7-36-8-6-32)31-24(11-19)33-14-21(34)15-33/h2-4,9-13,21,25,34H,5-8,14-15H2,1H3,(H,30,35)
InChIKeyVCKMSNSWAZPWDD-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.66
Rot. Bonds6

About 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide (PubChem CID 90461005) has the molecular formula C26H27F2N5O3 and a molecular weight of 495.53 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide
PubChem CID90461005
Molecular FormulaC26H27F2N5O3
Molecular Weight495.53 g/mol
Exact Mass495.21
IUPAC Name3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1
InChIInChI=1S/C26H27F2N5O3/c1-16-22(12-20(13-29-16)30-26(35)18-4-2-3-17(9-18)25(27)28)19-10-23(32-5-7-36-8-6-32)31-24(11-19)33-14-21(34)15-33/h2-4,9-13,21,25,34H,5-8,14-15H2,1H3,(H,30,35)
InChIKeyVCKMSNSWAZPWDD-UHFFFAOYSA-N
XLogP3.66
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610115
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 71457442
7-methyl-4-(3-(2-morpholinopyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 22317258
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-2-ylbenzamide
CID 71292333
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide
CID 71292345
[4-[5-Amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]phenyl]-morpholino-methanone
CID 71711917
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 71712054
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 71712124
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide
CID 72545566
[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholino-methanone
CID 72711191

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide (CID 90461005) is 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide is Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide?
The InChIKey is VCKMSNSWAZPWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O3/c1-16-22(12-20(13-29-16)30-26(35)18-4-2-3-17(9-18)25(27)28)19-10-23(32-5-7-36-8-6-32)31-24(11-19)33-14-21(34)15-33/h2-4,9-13,21,25,34H,5-8,14-15H2,1H3,(H,30,35).
What are the key properties of 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide has a molecular weight of 495.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide is sourced from PubChem (CID 90461005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).