N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

C15H16N4 — CID 79795868

IUPACN-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1cnc2nc(CCNc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H16N4/c1-11-9-13-15(17-10-11)19-14(18-13)7-8-16-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,18,19)
InChIKeyRTXNHVFIBYIAGG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (PubChem CID 79795868) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
PubChem CID79795868
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1cnc2nc(CCNc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H16N4/c1-11-9-13-15(17-10-11)19-14(18-13)7-8-16-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,18,19)
InChIKeyRTXNHVFIBYIAGG-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The IUPAC name of N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (CID 79795868) is N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is Cc1cnc2nc(CCNc3ccccc3)[nH]c2c1.
What is the InChIKey of N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The InChIKey is RTXNHVFIBYIAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-9-13-15(17-10-11)19-14(18-13)7-8-16-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline has a molecular weight of 252.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 79795868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).