1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde

C22H26N2O5 — CID 174481147

IUPAC1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde
SMILESCCOc1ccnc(C(C=O)CC(C=O)CC(C=O)c2cc(OCC)ccn2)c1
InChIInChI=1S/C22H26N2O5/c1-3-28-19-5-7-23-21(11-19)17(14-26)9-16(13-25)10-18(15-27)22-12-20(29-4-2)6-8-24-22/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyMTTJOAKCDJQDLO-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.13
Rot. Bonds13

About 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde

1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde (PubChem CID 174481147) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde.

Molecular Properties

Compound Name1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde
PubChem CID174481147
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde
SMILESCCOc1ccnc(C(C=O)CC(C=O)CC(C=O)c2cc(OCC)ccn2)c1
InChIInChI=1S/C22H26N2O5/c1-3-28-19-5-7-23-21(11-19)17(14-26)9-16(13-25)10-18(15-27)22-12-20(29-4-2)6-8-24-22/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyMTTJOAKCDJQDLO-UHFFFAOYSA-N
XLogP3.13
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-2-pyridinyl)propanoic acid
CID 83879247
4-ethoxy-2-ethylpyridine
CID 59520086
2-[2-(chloromethyl)-5-ethoxyphenyl]propanal
CID 134640210
2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
CID 175524021
2-(4-ethoxyphenyl)propanedial
CID 3698706
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
2-(2-phenyl-4-pyridinyl)butanal
CID 173202793
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 165126876
2-(2-amino-3-pyridinyl)-4-ethoxybenzaldehyde
CID 166594807
(E)-1-[(4-ethoxy-2-pyridinyl)amino]-7,7-difluorooct-5-en-4-one
CID 161356801

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde?
The IUPAC name of 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde (CID 174481147) is 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde.
What is the SMILES notation for 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde?
The canonical SMILES for 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde is CCOc1ccnc(C(C=O)CC(C=O)CC(C=O)c2cc(OCC)ccn2)c1.
What is the InChIKey of 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde?
The InChIKey is MTTJOAKCDJQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-28-19-5-7-23-21(11-19)17(14-26)9-16(13-25)10-18(15-27)22-12-20(29-4-2)6-8-24-22/h5-8,11-18H,3-4,9-10H2,1-2H3.
What are the key properties of 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde?
1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde has a molecular weight of 398.46 g/mol, XLogP of 3.13, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde is sourced from PubChem (CID 174481147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).