N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine

C19H16N4O — CID 139441135

IUPACN-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESc1ccc(Oc2cccc(CNc3cnc4nc[nH]c4c3)c2)cc1
InChIInChI=1S/C19H16N4O/c1-2-6-16(7-3-1)24-17-8-4-5-14(9-17)11-20-15-10-18-19(21-12-15)23-13-22-18/h1-10,12-13,20H,11H2,(H,21,22,23)
InChIKeyDFTDVWRDYNNXCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.36
Rot. Bonds5

About N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine

N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine (PubChem CID 139441135) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine
PubChem CID139441135
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESc1ccc(Oc2cccc(CNc3cnc4nc[nH]c4c3)c2)cc1
InChIInChI=1S/C19H16N4O/c1-2-6-16(7-3-1)24-17-8-4-5-14(9-17)11-20-15-10-18-19(21-12-15)23-13-22-18/h1-10,12-13,20H,11H2,(H,21,22,23)
InChIKeyDFTDVWRDYNNXCT-UHFFFAOYSA-N
XLogP4.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine (CID 139441135) is N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine is c1ccc(Oc2cccc(CNc3cnc4nc[nH]c4c3)c2)cc1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The InChIKey is DFTDVWRDYNNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-6-16(7-3-1)24-17-8-4-5-14(9-17)11-20-15-10-18-19(21-12-15)23-13-22-18/h1-10,12-13,20H,11H2,(H,21,22,23).
What are the key properties of N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine?
N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine has a molecular weight of 316.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 139441135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).