2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide

C14H18N4O — CID 66415886

IUPAC2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCc1cn(CC(=O)NCC2CC2)c2ncccc12
InChIInChI=1S/C14H18N4O/c15-6-11-8-18(14-12(11)2-1-5-16-14)9-13(19)17-7-10-3-4-10/h1-2,5,8,10H,3-4,6-7,9,15H2,(H,17,19)
InChIKeyXPCQPSQAOQNYOA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 66415886) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID66415886
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCc1cn(CC(=O)NCC2CC2)c2ncccc12
InChIInChI=1S/C14H18N4O/c15-6-11-8-18(14-12(11)2-1-5-16-14)9-13(19)17-7-10-3-4-10/h1-2,5,8,10H,3-4,6-7,9,15H2,(H,17,19)
InChIKeyXPCQPSQAOQNYOA-UHFFFAOYSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyanomethyl)acetamide
CID 66413943
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
CID 66416278
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
butyl 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66415107
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66414126
N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
CID 72861872
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415489
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 66415886) is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide is NCc1cn(CC(=O)NCC2CC2)c2ncccc12.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is XPCQPSQAOQNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-6-11-8-18(14-12(11)2-1-5-16-14)9-13(19)17-7-10-3-4-10/h1-2,5,8,10H,3-4,6-7,9,15H2,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 66415886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).