2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C14H15N5 — CID 79821458

IUPAC2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(N)c(C)c3)nc2n1
InChIInChI=1S/C14H15N5/c1-8-7-9(3-4-10(8)15)13-17-11-5-6-12(16-2)18-14(11)19-13/h3-7H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHIQKSFAYQUMGMY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.56
Rot. Bonds2

About 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821458) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821458
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(N)c(C)c3)nc2n1
InChIInChI=1S/C14H15N5/c1-8-7-9(3-4-10(8)15)13-17-11-5-6-12(16-2)18-14(11)19-13/h3-7H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHIQKSFAYQUMGMY-UHFFFAOYSA-N
XLogP2.56
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821458) is 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3ccc(N)c(C)c3)nc2n1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is HIQKSFAYQUMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-7-9(3-4-10(8)15)13-17-11-5-6-12(16-2)18-14(11)19-13/h3-7H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).