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

C23H22N4O2 — CID 87395485

IUPAC2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESO=CCC1C=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1
InChIInChI=1S/C23H22N4O2/c28-15-11-19-16-17(10-14-24-19)21-4-3-13-26-23(21)29-20-8-6-18(7-9-20)27-22-5-1-2-12-25-22/h1-9,12-13,15-16,19,24H,10-11,14H2,(H,25,27)
InChIKeyZGKMYTCZNKJFTF-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.35
Rot. Bonds7

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

2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (PubChem CID 87395485) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
PubChem CID87395485
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESO=CCC1C=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1
InChIInChI=1S/C23H22N4O2/c28-15-11-19-16-17(10-14-24-19)21-4-3-13-26-23(21)29-20-8-6-18(7-9-20)27-22-5-1-2-12-25-22/h1-9,12-13,15-16,19,24H,10-11,14H2,(H,25,27)
InChIKeyZGKMYTCZNKJFTF-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
CID 87395083
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 68604886
N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374245
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (CID 87395485) is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The canonical SMILES for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is O=CCC1C=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CCN1.
What is the InChIKey of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The InChIKey is ZGKMYTCZNKJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-15-11-19-16-17(10-14-24-19)21-4-3-13-26-23(21)29-20-8-6-18(7-9-20)27-22-5-1-2-12-25-22/h1-9,12-13,15-16,19,24H,10-11,14H2,(H,25,27).
What are the key properties of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde has a molecular weight of 386.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is sourced from PubChem (CID 87395485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).