4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine

C19H26N6 — CID 135335840

IUPAC4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC
InChIInChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)
InChIKeyIQINXSAAPBBCLN-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.80
Rot. Bonds7

About 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine

4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (PubChem CID 135335840) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
PubChem CID135335840
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
SMILESCCCCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC
InChIInChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)
InChIKeyIQINXSAAPBBCLN-UHFFFAOYSA-N
XLogP3.80
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine (CID 135335840) is 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is CCCCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC.
What is the InChIKey of 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
The InChIKey is IQINXSAAPBBCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24).
What are the key properties of 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine?
4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine has a molecular weight of 338.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 135335840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).