3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide

C24H34N6O2 — CID 102460945

IUPAC3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(COC)NC(=O)c1cnc2c(c1)nc(-c1cccnc1)n2C(C)CN(CC)CC
InChIInChI=1S/C24H34N6O2/c1-6-20(16-32-5)27-24(31)19-12-21-23(26-14-19)30(17(4)15-29(7-2)8-3)22(28-21)18-10-9-11-25-13-18/h9-14,17,20H,6-8,15-16H2,1-5H3,(H,27,31)
InChIKeyODGVWOIGZXPNES-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.55
Rot. Bonds11

About 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide

3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 102460945) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID102460945
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(COC)NC(=O)c1cnc2c(c1)nc(-c1cccnc1)n2C(C)CN(CC)CC
InChIInChI=1S/C24H34N6O2/c1-6-20(16-32-5)27-24(31)19-12-21-23(26-14-19)30(17(4)15-29(7-2)8-3)22(28-21)18-10-9-11-25-13-18/h9-14,17,20H,6-8,15-16H2,1-5H3,(H,27,31)
InChIKeyODGVWOIGZXPNES-UHFFFAOYSA-N
XLogP3.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide (CID 102460945) is 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide is CCC(COC)NC(=O)c1cnc2c(c1)nc(-c1cccnc1)n2C(C)CN(CC)CC.
What is the InChIKey of 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ODGVWOIGZXPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-6-20(16-32-5)27-24(31)19-12-21-23(26-14-19)30(17(4)15-29(7-2)8-3)22(28-21)18-10-9-11-25-13-18/h9-14,17,20H,6-8,15-16H2,1-5H3,(H,27,31).
What are the key properties of 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide?
3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 102460945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).