[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

C15H16N4 — CID 66416272

IUPAC[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(CCc2ccccn2)c2ncccc12
InChIInChI=1S/C15H16N4/c16-10-12-11-19(15-14(12)5-3-8-18-15)9-6-13-4-1-2-7-17-13/h1-5,7-8,11H,6,9-10,16H2
InChIKeyUWMPTHJGLMYYTG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.13
Rot. Bonds4

About [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66416272) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66416272
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(CCc2ccccn2)c2ncccc12
InChIInChI=1S/C15H16N4/c16-10-12-11-19(15-14(12)5-3-8-18-15)9-6-13-4-1-2-7-17-13/h1-5,7-8,11H,6,9-10,16H2
InChIKeyUWMPTHJGLMYYTG-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416482
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414124
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66414126
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416677

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66416272) is [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is NCc1cn(CCc2ccccn2)c2ncccc12.
What is the InChIKey of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is UWMPTHJGLMYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-10-12-11-19(15-14(12)5-3-8-18-15)9-6-13-4-1-2-7-17-13/h1-5,7-8,11H,6,9-10,16H2.
What are the key properties of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66416272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).