4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile

C23H21F2N5O2 — CID 176991258

IUPAC4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNC[C@@H]2CNc3cc(-c4cccnc4OC(F)F)cnc3O2)cc1
InChIInChI=1S/C23H21F2N5O2/c24-23(25)32-21-19(2-1-8-28-21)17-10-20-22(30-12-17)31-18(14-29-20)13-27-9-7-15-3-5-16(11-26)6-4-15/h1-6,8,10,12,18,23,27,29H,7,9,13-14H2/t18-/m1/s1
InChIKeyBMOCZLFMGFIALW-GOSISDBHSA-N
MW437.45 g/mol
LogP3.62
Rot. Bonds8

About 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile

4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile (PubChem CID 176991258) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
PubChem CID176991258
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNC[C@@H]2CNc3cc(-c4cccnc4OC(F)F)cnc3O2)cc1
InChIInChI=1S/C23H21F2N5O2/c24-23(25)32-21-19(2-1-8-28-21)17-10-20-22(30-12-17)31-18(14-29-20)13-27-9-7-15-3-5-16(11-26)6-4-15/h1-6,8,10,12,18,23,27,29H,7,9,13-14H2/t18-/m1/s1
InChIKeyBMOCZLFMGFIALW-GOSISDBHSA-N
XLogP3.62
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile with MolForge

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Related Compounds

4-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride
CID 44528579
4-[5-(Piperidin-4-ylmethoxy)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzonitrile
CID 127027039
4-[5-(Piperidin-4-ylmethoxy)-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzonitrile
CID 127028005
4-[2-(6-Methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127028662
4-[5-(Piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile
CID 127028006
4-[5-(Piperidin-4-ylmethoxy)-2-pyridin-3-yl-3-pyridinyl]benzonitrile
CID 127028007
4-[2-(6-Fluoro-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127028008
4-[(2S)-1-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]propan-2-yl]benzonitrile
CID 176283674
Pyridine derivative 17
CID 118205314
8-Piperidin-4-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,5-naphthyridine
CID 177649581
5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 11641474
1,9-Di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
CID 14072013

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile?
The IUPAC name of 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile (CID 176991258) is 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile is N#Cc1ccc(CCNC[C@@H]2CNc3cc(-c4cccnc4OC(F)F)cnc3O2)cc1.
What is the InChIKey of 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile?
The InChIKey is BMOCZLFMGFIALW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c24-23(25)32-21-19(2-1-8-28-21)17-10-20-22(30-12-17)31-18(14-29-20)13-27-9-7-15-3-5-16(11-26)6-4-15/h1-6,8,10,12,18,23,27,29H,7,9,13-14H2/t18-/m1/s1.
What are the key properties of 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile?
4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile has a molecular weight of 437.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3R)-7-[2-(difluoromethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile is sourced from PubChem (CID 176991258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).