N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine

C15H17N5 — CID 103386117

IUPACN-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCC(Nc1nccc2c1ncn2C)c1cccc(N)c1
InChIInChI=1S/C15H17N5/c1-10(11-4-3-5-12(16)8-11)19-15-14-13(6-7-17-15)20(2)9-18-14/h3-10H,16H2,1-2H3,(H,17,19)
InChIKeyYQHVWMSWSXLMAO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine

N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103386117) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103386117
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCC(Nc1nccc2c1ncn2C)c1cccc(N)c1
InChIInChI=1S/C15H17N5/c1-10(11-4-3-5-12(16)8-11)19-15-14-13(6-7-17-15)20(2)9-18-14/h3-10H,16H2,1-2H3,(H,17,19)
InChIKeyYQHVWMSWSXLMAO-UHFFFAOYSA-N
XLogP2.72
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385330
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
CID 62927796
N-tert-butyl-2-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]propanamide
CID 103385773
1-methyl-N-(2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385789
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
CID 60870788
N-[1-(furan-2-yl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385464
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 103385118
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385595
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385548

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103386117) is N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine is CC(Nc1nccc2c1ncn2C)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is YQHVWMSWSXLMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(11-4-3-5-12(16)8-11)19-15-14-13(6-7-17-15)20(2)9-18-14/h3-10H,16H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103386117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).