N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide

C29H42N6O2 — CID 56601705

IUPACN-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCN(C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3)c2n1)C(C)CC
InChIInChI=1S/C29H42N6O2/c1-5-17-34(22(3)6-2)28(36)26-16-15-25-27(31-26)35(21-10-20-33-18-8-7-9-19-33)29(32-25)30-23-11-13-24(37-4)14-12-23/h11-16,22H,5-10,17-21H2,1-4H3,(H,30,32)
InChIKeyOGBHXOUCENILHY-UHFFFAOYSA-N
MW506.70 g/mol
LogP5.71
Rot. Bonds12

About N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide

N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 56601705) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID56601705
Molecular FormulaC29H42N6O2
Molecular Weight506.70 g/mol
Exact Mass506.34
IUPAC NameN-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCN(C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3)c2n1)C(C)CC
InChIInChI=1S/C29H42N6O2/c1-5-17-34(22(3)6-2)28(36)26-16-15-25-27(31-26)35(21-10-20-33-18-8-7-9-19-33)29(32-25)30-23-11-13-24(37-4)14-12-23/h11-16,22H,5-10,17-21H2,1-4H3,(H,30,32)
InChIKeyOGBHXOUCENILHY-UHFFFAOYSA-N
XLogP5.71
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide (CID 56601705) is N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide is CCCN(C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3)c2n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is OGBHXOUCENILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O2/c1-5-17-34(22(3)6-2)28(36)26-16-15-25-27(31-26)35(21-10-20-33-18-8-7-9-19-33)29(32-25)30-23-11-13-24(37-4)14-12-23/h11-16,22H,5-10,17-21H2,1-4H3,(H,30,32).
What are the key properties of N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide?
N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 506.70 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 56601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).