[5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C21H14N10O — CID 169380848

About [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380848) has the molecular formula C21H14N10O and a molecular weight of 422.41 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169380848
• Molecular Formula: C21H14N10O
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.14
• IUPAC Name: [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: N#CNC1=NC(c2ccc(Oc3ncccc3C#N)cc2)c2c(nc(N)c(C#N)c2N)N1
• InChI: InChI=1S/C21H14N10O/c22-8-12-2-1-7-27-20(12)32-13-5-3-11(4-6-13)17-15-16(25)14(9-23)18(26)30-19(15)31-21(29-17)28-10-24/h1-7,17H,(H6,25,26,28,29,30,31)
• InChIKey: WNHXNGRUAVSNPM-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 194.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380848) is [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

What is the SMILES notation for [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The canonical SMILES for [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2ccc(Oc3ncccc3C#N)cc2)c2c(nc(N)c(C#N)c2N)N1.

What is the InChIKey of [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The InChIKey is WNHXNGRUAVSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N10O/c22-8-12-2-1-7-27-20(12)32-13-5-3-11(4-6-13)17-15-16(25)14(9-23)18(26)30-19(15)31-21(29-17)28-10-24/h1-7,17H,(H6,25,26,28,29,30,31).

What are the key properties of [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

[5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 422.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).