4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide

C22H23N9O — CID 155534464

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 155534464) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 155534464
• Molecular Formula: C22H23N9O
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.20
• IUPAC Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide
• SMILES: Cc1cncc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1
• InChI: InChI=1S/C22H23N9O/c1-14-10-25-13-20(28-14)30-19-8-18(17(12-26-19)22(24)32)29-16-4-6-31(7-5-16)21-3-2-15(9-23)11-27-21/h2-3,8,10-13,16H,4-7H2,1H3,(H2,24,32)(H2,26,28,29,30)
• InChIKey: RTQDAHIOCNGMNZ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 145.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide (CID 155534464) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide is Cc1cncc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1.

What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide?

The InChIKey is RTQDAHIOCNGMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-14-10-25-13-20(28-14)30-19-8-18(17(12-26-19)22(24)32)29-16-4-6-31(7-5-16)21-3-2-15(9-23)11-27-21/h2-3,8,10-13,16H,4-7H2,1H3,(H2,24,32)(H2,26,28,29,30).

What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide?

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(6-methylpyrazin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 155534464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).