1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

C13H17N3O — CID 114526130

IUPAC1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCN(C)CCCn1cc(C=O)c2cccnc21
InChIInChI=1S/C13H17N3O/c1-15(2)7-4-8-16-9-11(10-17)12-5-3-6-14-13(12)16/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyYWKINNUTLGGLBV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 114526130) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID114526130
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCN(C)CCCn1cc(C=O)c2cccnc21
InChIInChI=1S/C13H17N3O/c1-15(2)7-4-8-16-9-11(10-17)12-5-3-6-14-13(12)16/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyYWKINNUTLGGLBV-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propylsulfonylethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 106716449
1-but-2-enylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 77133202
1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66416218
1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413891
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66415652
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415275
1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 77133242
1-[2-(3-bromophenoxy)ethyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66414463
butyl 2-(3-formylpyrrolo[2,3-b]pyridin-1-yl)acetate
CID 66416024
1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66414865
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413883
1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 79182622

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 114526130) is 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is CN(C)CCCn1cc(C=O)c2cccnc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is YWKINNUTLGGLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(2)7-4-8-16-9-11(10-17)12-5-3-6-14-13(12)16/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 231.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 114526130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).