2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide

C23H29N5O — CID 92605893

IUPAC2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(CCc1ccccn1)Cc1c(C2CC2)n(CC(=O)N(C)C)c2ncccc12
InChIInChI=1S/C23H29N5O/c1-26(2)21(29)16-28-22(17-9-10-17)20(19-8-6-13-25-23(19)28)15-27(3)14-11-18-7-4-5-12-24-18/h4-8,12-13,17H,9-11,14-16H2,1-3H3
InChIKeyGIEKRKZZGNWIHK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.07
Rot. Bonds8

About 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide

2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 92605893) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID92605893
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(CCc1ccccn1)Cc1c(C2CC2)n(CC(=O)N(C)C)c2ncccc12
InChIInChI=1S/C23H29N5O/c1-26(2)21(29)16-28-22(17-9-10-17)20(19-8-6-13-25-23(19)28)15-27(3)14-11-18-7-4-5-12-24-18/h4-8,12-13,17H,9-11,14-16H2,1-3H3
InChIKeyGIEKRKZZGNWIHK-UHFFFAOYSA-N
XLogP3.07
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

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CID 2845946
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CID 17384893
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
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2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 171130428
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide (CID 92605893) is 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide is CN(CCc1ccccn1)Cc1c(C2CC2)n(CC(=O)N(C)C)c2ncccc12.
What is the InChIKey of 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GIEKRKZZGNWIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-26(2)21(29)16-28-22(17-9-10-17)20(19-8-6-13-25-23(19)28)15-27(3)14-11-18-7-4-5-12-24-18/h4-8,12-13,17H,9-11,14-16H2,1-3H3.
What are the key properties of 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 391.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 92605893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).