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

C14H15N5O — CID 79821122

IUPAC2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1
InChIInChI=1S/C14H15N5O/c1-16-12-7-6-11-14(18-12)19-13(17-11)8-20-10-4-2-9(15)3-5-10/h2-7H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyCEDVAEOIEJCWRY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.16
Rot. Bonds4

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

2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821122) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821122
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1
InChIInChI=1S/C14H15N5O/c1-16-12-7-6-11-14(18-12)19-13(17-11)8-20-10-4-2-9(15)3-5-10/h2-7H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyCEDVAEOIEJCWRY-UHFFFAOYSA-N
XLogP2.16
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline
CID 79826712
2-ethyl-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821418
5-methyl-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 81137537
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 114227026
2-(anilinomethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821045
2-(methoxymethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821303
2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817329
2-[2-(furan-2-yl)ethyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821939
N-methyl-2-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820794

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821122) is 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1.
What is the InChIKey of 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is CEDVAEOIEJCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-16-12-7-6-11-14(18-12)19-13(17-11)8-20-10-4-2-9(15)3-5-10/h2-7H,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 269.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).