2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde

C20H23N3O — CID 87392794

IUPAC2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCCCn1c(C)c(C=O)c2ccnc(NCc3ccccc3C)c21
InChIInChI=1S/C20H23N3O/c1-4-11-23-15(3)18(13-24)17-9-10-21-20(19(17)23)22-12-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQMJMLSJAESTCGR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.49
Rot. Bonds6

About 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde

2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde (PubChem CID 87392794) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde
PubChem CID87392794
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCCCn1c(C)c(C=O)c2ccnc(NCc3ccccc3C)c21
InChIInChI=1S/C20H23N3O/c1-4-11-23-15(3)18(13-24)17-9-10-21-20(19(17)23)22-12-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQMJMLSJAESTCGR-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
CID 67141915
[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
CID 67421838
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 67421880
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
N-benzyl-1-but-3-enyl-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67142843
N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725629
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
CID 67422702
6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
CID 106537699
N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde (CID 87392794) is 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde is CCCn1c(C)c(C=O)c2ccnc(NCc3ccccc3C)c21.
What is the InChIKey of 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The InChIKey is QMJMLSJAESTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-11-23-15(3)18(13-24)17-9-10-21-20(19(17)23)22-12-16-8-6-5-7-14(16)2/h5-10,13H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde has a molecular weight of 321.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 87392794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).