4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile

C19H14N4O — CID 177019317

IUPAC4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3CCOc4cccnc43)cc2)ccn1
InChIInChI=1S/C19H14N4O/c20-13-16-12-15(7-9-21-16)14-3-5-17(6-4-14)23-10-11-24-18-2-1-8-22-19(18)23/h1-9,12H,10-11H2
InChIKeyZQFHSPCBPVTNOE-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.55
Rot. Bonds2

About 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile

4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 177019317) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile
PubChem CID177019317
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3CCOc4cccnc43)cc2)ccn1
InChIInChI=1S/C19H14N4O/c20-13-16-12-15(7-9-21-16)14-3-5-17(6-4-14)23-10-11-24-18-2-1-8-22-19(18)23/h1-9,12H,10-11H2
InChIKeyZQFHSPCBPVTNOE-UHFFFAOYSA-N
XLogP3.55
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
CID 143191137
4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
CID 140592211
4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile
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4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
CID 58346308
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397870
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonitrile
CID 79839491
4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146542786

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile (CID 177019317) is 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(N3CCOc4cccnc43)cc2)ccn1.
What is the InChIKey of 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is ZQFHSPCBPVTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-13-16-12-15(7-9-21-16)14-3-5-17(6-4-14)23-10-11-24-18-2-1-8-22-19(18)23/h1-9,12H,10-11H2.
What are the key properties of 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile?
4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 177019317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).