6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal

C20H22N2O — CID 88736957

IUPAC6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal
SMILESCc1c(-c2cccnc2)[nH]c2cccc(CCCCCC=O)c12
InChIInChI=1S/C20H22N2O/c1-15-19-16(8-4-2-3-5-13-23)9-6-11-18(19)22-20(15)17-10-7-12-21-14-17/h6-7,9-14,22H,2-5,8H2,1H3
InChIKeyOVHSDGQSSOTHIF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.84
Rot. Bonds7

About 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal

6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal (PubChem CID 88736957) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal.

Molecular Properties

Compound Name6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal
PubChem CID88736957
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal
SMILESCc1c(-c2cccnc2)[nH]c2cccc(CCCCCC=O)c12
InChIInChI=1S/C20H22N2O/c1-15-19-16(8-4-2-3-5-13-23)9-6-11-18(19)22-20(15)17-10-7-12-21-14-17/h6-7,9-14,22H,2-5,8H2,1H3
InChIKeyOVHSDGQSSOTHIF-UHFFFAOYSA-N
XLogP4.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate
CID 70528899
dimethyl 2-[6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexyl]propanedioate
CID 70531318
6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal
CID 13362113
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
4-hexyl-2,3-dimethyl-1H-indole
CID 101334969
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
CID 70490518
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
2-pyridin-3-yl-3,12-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 141026482
6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 5133751
5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
CID 153295499
4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 3287232

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal?
The IUPAC name of 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal (CID 88736957) is 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal.
What is the SMILES notation for 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal?
The canonical SMILES for 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal is Cc1c(-c2cccnc2)[nH]c2cccc(CCCCCC=O)c12.
What is the InChIKey of 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal?
The InChIKey is OVHSDGQSSOTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-19-16(8-4-2-3-5-13-23)9-6-11-18(19)22-20(15)17-10-7-12-21-14-17/h6-7,9-14,22H,2-5,8H2,1H3.
What are the key properties of 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal?
6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal has a molecular weight of 306.41 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal is sourced from PubChem (CID 88736957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).