N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide

C17H19N7O2 — CID 136543255

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 136543255) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 136543255
• Molecular Formula: C17H19N7O2
• Molecular Weight: 353.39 g/mol
• Exact Mass: 353.16
• IUPAC Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CN1CCN(c2ccc(NC(=O)c3cnc4[nH]c(=O)[nH]c4c3)cn2)CC1
• InChI: InChI=1S/C17H19N7O2/c1-23-4-6-24(7-5-23)14-3-2-12(10-18-14)20-16(25)11-8-13-15(19-9-11)22-17(26)21-13/h2-3,8-10H,4-7H2,1H3,(H,20,25)(H2,19,21,22,26)
• InChIKey: GIVMFUMVJNBGKL-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 110.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.39
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide (CID 136543255) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide is CN1CCN(c2ccc(NC(=O)c3cnc4[nH]c(=O)[nH]c4c3)cn2)CC1.

What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is GIVMFUMVJNBGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-23-4-6-24(7-5-23)14-3-2-12(10-18-14)20-16(25)11-8-13-15(19-9-11)22-17(26)21-13/h2-3,8-10H,4-7H2,1H3,(H,20,25)(H2,19,21,22,26).

What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide?

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 136543255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).