4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C22H28N10O — CID 175501424

About 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501424) has the molecular formula C22H28N10O and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 175501424
• Molecular Formula: C22H28N10O
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.24
• IUPAC Name: 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccc(Nc3cc(Nc4nccnc4N(C)C)c(C(N)=O)cn3)nc2)CC1
• InChI: InChI=1S/C22H28N10O/c1-30(2)22-21(24-6-7-25-22)28-17-12-19(27-14-16(17)20(23)33)29-18-5-4-15(13-26-18)32-10-8-31(3)9-11-32/h4-7,12-14H,8-11H2,1-3H3,(H2,23,33)(H2,24,26,27,28,29)
• InChIKey: SSPJECXOKVFNBQ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 128.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501424) is 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CN1CCN(c2ccc(Nc3cc(Nc4nccnc4N(C)C)c(C(N)=O)cn3)nc2)CC1.

What is the InChIKey of 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is SSPJECXOKVFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N10O/c1-30(2)22-21(24-6-7-25-22)28-17-12-19(27-14-16(17)20(23)33)29-18-5-4-15(13-26-18)32-10-8-31(3)9-11-32/h4-7,12-14H,8-11H2,1-3H3,(H2,23,33)(H2,24,26,27,28,29).

What are the key properties of 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).