2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde

C24H26N2O5 — CID 87226299

IUPAC2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cc(-c3ccccn3)ccc2NCCCO)c(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-29-21-14-17(15-28)22(24(31-3)23(21)30-2)18-13-16(19-7-4-5-10-25-19)8-9-20(18)26-11-6-12-27/h4-5,7-10,13-15,26-27H,6,11-12H2,1-3H3
InChIKeyGATQNSAMVATQSC-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.05
Rot. Bonds10

About 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde

2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde (PubChem CID 87226299) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde
PubChem CID87226299
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cc(-c3ccccn3)ccc2NCCCO)c(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-29-21-14-17(15-28)22(24(31-3)23(21)30-2)18-13-16(19-7-4-5-10-25-19)8-9-20(18)26-11-6-12-27/h4-5,7-10,13-15,26-27H,6,11-12H2,1-3H3
InChIKeyGATQNSAMVATQSC-UHFFFAOYSA-N
XLogP4.05
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423
3,4,5-trimethoxy-2-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]benzaldehyde
CID 87612977
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270
4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde
CID 10752787
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
2-[2-(difluoromethoxy)-5-(furan-2-yl)phenyl]-3,4,5-trimethoxybenzaldehyde
CID 87612809
3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
CID 18674989
5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
CID 152554921
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2-[6-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzaldehyde
CID 126471253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde?
The IUPAC name of 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde (CID 87226299) is 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde.
What is the SMILES notation for 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde?
The canonical SMILES for 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde is COc1cc(C=O)c(-c2cc(-c3ccccn3)ccc2NCCCO)c(OC)c1OC.
What is the InChIKey of 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde?
The InChIKey is GATQNSAMVATQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-29-21-14-17(15-28)22(24(31-3)23(21)30-2)18-13-16(19-7-4-5-10-25-19)8-9-20(18)26-11-6-12-27/h4-5,7-10,13-15,26-27H,6,11-12H2,1-3H3.
What are the key properties of 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde?
2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde has a molecular weight of 422.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde is sourced from PubChem (CID 87226299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).