2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde

C22H21N5O2 — CID 87395083

IUPAC2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESO=CCC1C=C(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1
InChIInChI=1S/C22H21N5O2/c28-14-9-18-15-16(8-11-23-18)21-22(26-13-12-25-21)29-19-6-4-17(5-7-19)27-20-3-1-2-10-24-20/h1-7,10,12-15,18,23H,8-9,11H2,(H,24,27)
InChIKeyUORKJNVZCWIOCC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.74
Rot. Bonds7

About 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde

2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (PubChem CID 87395083) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
PubChem CID87395083
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESO=CCC1C=C(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1
InChIInChI=1S/C22H21N5O2/c28-14-9-18-15-16(8-11-23-18)21-22(26-13-12-25-21)29-19-6-4-17(5-7-19)27-20-3-1-2-10-24-20/h1-7,10,12-15,18,23H,8-9,11H2,(H,24,27)
InChIKeyUORKJNVZCWIOCC-UHFFFAOYSA-N
XLogP3.74
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
CID 87395485
2-[4-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]oxypyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
CID 87414870
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 91503354
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374044
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The IUPAC name of 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (CID 87395083) is 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The canonical SMILES for 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is O=CCC1C=C(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1.
What is the InChIKey of 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The InChIKey is UORKJNVZCWIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-14-9-18-15-16(8-11-23-18)21-22(26-13-12-25-21)29-19-6-4-17(5-7-19)27-20-3-1-2-10-24-20/h1-7,10,12-15,18,23H,8-9,11H2,(H,24,27).
What are the key properties of 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde has a molecular weight of 387.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is sourced from PubChem (CID 87395083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).