3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal

C19H15N3O — CID 134481387

IUPAC3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
SMILESO=CCCc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C19H15N3O/c23-9-1-2-15-5-3-14(11-21-15)13-4-6-16-17-12-20-8-7-18(17)22-19(16)10-13/h3-12,22H,1-2H2
InChIKeyGLYLRSXWEQUYRI-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.91
Rot. Bonds4

About 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal

3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal (PubChem CID 134481387) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal.

Molecular Properties

Compound Name3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
PubChem CID134481387
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
SMILESO=CCCc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C19H15N3O/c23-9-1-2-15-5-3-14(11-21-15)13-4-6-16-17-12-20-8-7-18(17)22-19(16)10-13/h3-12,22H,1-2H2
InChIKeyGLYLRSXWEQUYRI-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal?
The IUPAC name of 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal (CID 134481387) is 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal.
What is the SMILES notation for 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal?
The canonical SMILES for 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal is O=CCCc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal?
The InChIKey is GLYLRSXWEQUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-9-1-2-15-5-3-14(11-21-15)13-4-6-16-17-12-20-8-7-18(17)22-19(16)10-13/h3-12,22H,1-2H2.
What are the key properties of 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal?
3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal has a molecular weight of 301.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal is sourced from PubChem (CID 134481387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).