[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine

C15H16N4 — CID 53298848

IUPAC[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
SMILESCc1cccc(Cn2c(CN)nc3cccnc32)c1
InChIInChI=1S/C15H16N4/c1-11-4-2-5-12(8-11)10-19-14(9-16)18-13-6-3-7-17-15(13)19/h2-8H,9-10,16H2,1H3
InChIKeyHCNSRNWWYBFKCW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.25
Rot. Bonds3

About [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine

[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine (PubChem CID 53298848) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
PubChem CID53298848
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
SMILESCc1cccc(Cn2c(CN)nc3cccnc32)c1
InChIInChI=1S/C15H16N4/c1-11-4-2-5-12(8-11)10-19-14(9-16)18-13-6-3-7-17-15(13)19/h2-8H,9-10,16H2,1H3
InChIKeyHCNSRNWWYBFKCW-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine?
The IUPAC name of [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine (CID 53298848) is [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine.
What is the SMILES notation for [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine?
The canonical SMILES for [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine is Cc1cccc(Cn2c(CN)nc3cccnc32)c1.
What is the InChIKey of [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine?
The InChIKey is HCNSRNWWYBFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-2-5-12(8-11)10-19-14(9-16)18-13-6-3-7-17-15(13)19/h2-8H,9-10,16H2,1H3.
What are the key properties of [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine?
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine is sourced from PubChem (CID 53298848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).