6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine

C23H26N6 — CID 135335944

IUPAC6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCCn1c(C)nc2ccc(-c3cc(N)nc(NCc4ccccc4)c3)nc21
InChIInChI=1S/C23H26N6/c1-3-4-12-29-16(2)26-20-11-10-19(27-23(20)29)18-13-21(24)28-22(14-18)25-15-17-8-6-5-7-9-17/h5-11,13-14H,3-4,12,15H2,1-2H3,(H3,24,25,28)
InChIKeyHHHLOEJWHBOZDX-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.80
Rot. Bonds7

About 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine

6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (PubChem CID 135335944) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
PubChem CID135335944
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCCn1c(C)nc2ccc(-c3cc(N)nc(NCc4ccccc4)c3)nc21
InChIInChI=1S/C23H26N6/c1-3-4-12-29-16(2)26-20-11-10-19(27-23(20)29)18-13-21(24)28-22(14-18)25-15-17-8-6-5-7-9-17/h5-11,13-14H,3-4,12,15H2,1-2H3,(H3,24,25,28)
InChIKeyHHHLOEJWHBOZDX-UHFFFAOYSA-N
XLogP4.80
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (CID 135335944) is 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is CCCCn1c(C)nc2ccc(-c3cc(N)nc(NCc4ccccc4)c3)nc21.
What is the InChIKey of 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The InChIKey is HHHLOEJWHBOZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-3-4-12-29-16(2)26-20-11-10-19(27-23(20)29)18-13-21(24)28-22(14-18)25-15-17-8-6-5-7-9-17/h5-11,13-14H,3-4,12,15H2,1-2H3,(H3,24,25,28).
What are the key properties of 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine has a molecular weight of 386.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 135335944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).