2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C16H19N5 — CID 115339652

IUPAC2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CCc3ccc(N)cc3)nc2n1
InChIInChI=1S/C16H19N5/c1-21(2)15-10-8-13-16(20-15)19-14(18-13)9-5-11-3-6-12(17)7-4-11/h3-4,6-8,10H,5,9,17H2,1-2H3,(H,18,19,20)
InChIKeyCGMRFSQYJWEPSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 115339652) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID115339652
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CCc3ccc(N)cc3)nc2n1
InChIInChI=1S/C16H19N5/c1-21(2)15-10-8-13-16(20-15)19-14(18-13)9-5-11-3-6-12(17)7-4-11/h3-4,6-8,10H,5,9,17H2,1-2H3,(H,18,19,20)
InChIKeyCGMRFSQYJWEPSX-UHFFFAOYSA-N
XLogP2.39
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 115339652) is 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(CCc3ccc(N)cc3)nc2n1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is CGMRFSQYJWEPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-21(2)15-10-8-13-16(20-15)19-14(18-13)9-5-11-3-6-12(17)7-4-11/h3-4,6-8,10H,5,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 115339652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).