N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C16H17N3 — CID 138711418

IUPACN-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCc1ccc(Nc2cnc3[nH]ccc3c2)cc1C
InChIInChI=1S/C16H17N3/c1-3-12-4-5-14(8-11(12)2)19-15-9-13-6-7-17-16(13)18-10-15/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyPPBATYDWBAZCFK-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.18
Rot. Bonds3

About N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 138711418) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID138711418
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCc1ccc(Nc2cnc3[nH]ccc3c2)cc1C
InChIInChI=1S/C16H17N3/c1-3-12-4-5-14(8-11(12)2)19-15-9-13-6-7-17-16(13)18-10-15/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyPPBATYDWBAZCFK-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 138711418) is N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is CCc1ccc(Nc2cnc3[nH]ccc3c2)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is PPBATYDWBAZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-12-4-5-14(8-11(12)2)19-15-9-13-6-7-17-16(13)18-10-15/h4-10,19H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 251.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 138711418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).