ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide

C19H25N7O2 — CID 164926987

About ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide

ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide (PubChem CID 164926987) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
• PubChem CID: 164926987
• Molecular Formula: C19H25N7O2
• Molecular Weight: 383.46 g/mol
• Exact Mass: 383.21
• IUPAC Name: ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
• SMILES: CC.NC(=O)c1ncc(Nc2ccc(N3CCNCC3)cn2)c2c1CNC2=O
• InChI: InChI=1S/C17H19N7O2.C2H6/c18-16(25)15-11-8-22-17(26)14(11)12(9-21-15)23-13-2-1-10(7-20-13)24-5-3-19-4-6-24;1-2/h1-2,7,9,19H,3-6,8H2,(H2,18,25)(H,20,23)(H,22,26);1-2H3
• InChIKey: DHMZMHRRMWCGJX-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 125.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.46
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?

The IUPAC name of ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide (CID 164926987) is ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide.

What is the SMILES notation for ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?

The canonical SMILES for ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide is CC.NC(=O)c1ncc(Nc2ccc(N3CCNCC3)cn2)c2c1CNC2=O.

What is the InChIKey of ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?

The InChIKey is DHMZMHRRMWCGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2.C2H6/c18-16(25)15-11-8-22-17(26)14(11)12(9-21-15)23-13-2-1-10(7-20-13)24-5-3-19-4-6-24;1-2/h1-2,7,9,19H,3-6,8H2,(H2,18,25)(H,20,23)(H,22,26);1-2H3.

What are the key properties of ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?

ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 164926987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).