6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine

C17H20N4 — CID 79277969

IUPAC6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2CCC(C)c1ccccc1
InChIInChI=1S/C17H20N4/c1-12-10-15-16(19-11-12)21(17(18)20-15)9-8-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H2,18,20)
InChIKeyHXEIIKPIMXJDSS-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.52
Rot. Bonds4

About 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine

6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79277969) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79277969
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2CCC(C)c1ccccc1
InChIInChI=1S/C17H20N4/c1-12-10-15-16(19-11-12)21(17(18)20-15)9-8-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H2,18,20)
InChIKeyHXEIIKPIMXJDSS-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(3-phenylbutyl)benzimidazol-2-amine
CID 62987867
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79279800
6-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106105694
6-methyl-3-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79300752
6-methyl-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301690
2,5-dimethyl-1-(3-phenylbutyl)pyrrole
CID 55188447
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300822
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 106035582
6-methyl-3-(6-methylheptan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300973

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine (CID 79277969) is 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2CCC(C)c1ccccc1.
What is the InChIKey of 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HXEIIKPIMXJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-10-15-16(19-11-12)21(17(18)20-15)9-8-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H2,18,20).
What are the key properties of 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine?
6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenylbutyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79277969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).