2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide

C14H20N4O — CID 66414126

IUPAC2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H20N4O/c1-10(2)17(3)13(19)9-18-8-11(7-15)12-5-4-6-16-14(12)18/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyJRVXOADACYFOEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 66414126) 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-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID66414126
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H20N4O/c1-10(2)17(3)13(19)9-18-8-11(7-15)12-5-4-6-16-14(12)18/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyJRVXOADACYFOEO-UHFFFAOYSA-N
XLogP1.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 66414126) is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cc(CN)c2cccnc21.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JRVXOADACYFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)17(3)13(19)9-18-8-11(7-15)12-5-4-6-16-14(12)18/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66414126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).