N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H16N4 — CID 95717882

IUPACN-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC[C@H](Nc1ccc2cc[nH]c2n1)c1ccncc1
InChIInChI=1S/C15H16N4/c1-2-13(11-5-8-16-9-6-11)18-14-4-3-12-7-10-17-15(12)19-14/h3-10,13H,2H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyUIQWFNMJMNJMOG-ZDUSSCGKSA-N
MW252.32 g/mol
LogP3.52
Rot. Bonds4

About N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 95717882) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID95717882
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC[C@H](Nc1ccc2cc[nH]c2n1)c1ccncc1
InChIInChI=1S/C15H16N4/c1-2-13(11-5-8-16-9-6-11)18-14-4-3-12-7-10-17-15(12)19-14/h3-10,13H,2H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyUIQWFNMJMNJMOG-ZDUSSCGKSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 95717882) is N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CC[C@H](Nc1ccc2cc[nH]c2n1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is UIQWFNMJMNJMOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-13(11-5-8-16-9-6-11)18-14-4-3-12-7-10-17-15(12)19-14/h3-10,13H,2H2,1H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 252.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylpropyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 95717882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).