N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

C21H20N4 — CID 71015926

IUPACN-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESCC(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccccc1
InChIInChI=1S/C21H20N4/c1-15(17-6-3-2-4-7-17)25-20-10-9-16(13-23-20)12-18-14-24-21-19(18)8-5-11-22-21/h2-11,13-15H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDPHAOWJIVHCSKH-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.72
Rot. Bonds5

About N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 71015926) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID71015926
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESCC(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccccc1
InChIInChI=1S/C21H20N4/c1-15(17-6-3-2-4-7-17)25-20-10-9-16(13-23-20)12-18-14-24-21-19(18)8-5-11-22-21/h2-11,13-15H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDPHAOWJIVHCSKH-UHFFFAOYSA-N
XLogP4.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 71015926) is N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is CC(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is DPHAOWJIVHCSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-15(17-6-3-2-4-7-17)25-20-10-9-16(13-23-20)12-18-14-24-21-19(18)8-5-11-22-21/h2-11,13-15H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71015926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).