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

C14H20N4O — CID 66416278

IUPAC2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H20N4O/c1-10(2)7-17-13(19)9-18-8-11(6-15)12-4-3-5-16-14(12)18/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,17,19)
InChIKeyNSNRPJRHUMQXRY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds5

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

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 66416278) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID66416278
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H20N4O/c1-10(2)7-17-13(19)9-18-8-11(6-15)12-4-3-5-16-14(12)18/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,17,19)
InChIKeyNSNRPJRHUMQXRY-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
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-(cyclopropylmethyl)acetamide
CID 66415886
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66414126
(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-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
CID 66415870
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
[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-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide (CID 66416278) is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cc(CN)c2cccnc21.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is NSNRPJRHUMQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)7-17-13(19)9-18-8-11(6-15)12-4-3-5-16-14(12)18/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.27, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 66416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).