5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine

C19H18N6O — CID 70163826

IUPAC5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(Oc3nc4cccnc4n3C)cc2)c(N)c1
InChIInChI=1S/C19H18N6O/c1-12-10-15(20)17(22-11-12)23-13-5-7-14(8-6-13)26-19-24-16-4-3-9-21-18(16)25(19)2/h3-11H,20H2,1-2H3,(H,22,23)
InChIKeyDEEAUIFAPGMOLQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.79
Rot. Bonds4

About 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine

5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine (PubChem CID 70163826) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine
PubChem CID70163826
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(Oc3nc4cccnc4n3C)cc2)c(N)c1
InChIInChI=1S/C19H18N6O/c1-12-10-15(20)17(22-11-12)23-13-5-7-14(8-6-13)26-19-24-16-4-3-9-21-18(16)25(19)2/h3-11H,20H2,1-2H3,(H,22,23)
InChIKeyDEEAUIFAPGMOLQ-UHFFFAOYSA-N
XLogP3.79
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine (CID 70163826) is 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine is Cc1cnc(Nc2ccc(Oc3nc4cccnc4n3C)cc2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine?
The InChIKey is DEEAUIFAPGMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-10-15(20)17(22-11-12)23-13-5-7-14(8-6-13)26-19-24-16-4-3-9-21-18(16)25(19)2/h3-11H,20H2,1-2H3,(H,22,23).
What are the key properties of 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine?
5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine has a molecular weight of 346.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]pyridine-2,3-diamine is sourced from PubChem (CID 70163826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).