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

C22H22N8O — CID 46208354

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

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 46208354) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 46208354
• Molecular Formula: C22H22N8O
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.19
• IUPAC Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide
• SMILES: N#Cc1ccc(N2CCC(Nc3cc(Nc4ccccn4)ncc3C(N)=O)CC2)nc1
• InChI: InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29)
• InChIKey: OGJWWUCDNHVDOY-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 132.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide (CID 46208354) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide is N#Cc1ccc(N2CCC(Nc3cc(Nc4ccccn4)ncc3C(N)=O)CC2)nc1.

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

The InChIKey is OGJWWUCDNHVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29).

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

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 46208354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).