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

C21H20N10O — CID 169381219

IUPAC[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCCCCc1nnc(-c2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc2)o1
InChIInChI=1S/C21H20N10O/c1-2-3-4-14-30-31-20(32-14)12-7-5-11(6-8-12)17-15-16(24)13(9-22)18(25)28-19(15)29-21(27-17)26-10-23/h5-8,17H,2-4H2,1H3,(H6,24,25,26,27,28,29)
InChIKeyPQPGGDJZBZOLCE-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.45
Rot. Bonds5

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

[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169381219) has the molecular formula C21H20N10O and a molecular weight of 428.46 g/mol. Its IUPAC name is [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169381219
Molecular FormulaC21H20N10O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCCCCc1nnc(-c2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc2)o1
InChIInChI=1S/C21H20N10O/c1-2-3-4-14-30-31-20(32-14)12-7-5-11(6-8-12)17-15-16(24)13(9-22)18(25)28-19(15)29-21(27-17)26-10-23/h5-8,17H,2-4H2,1H3,(H6,24,25,26,27,28,29)
InChIKeyPQPGGDJZBZOLCE-UHFFFAOYSA-N
XLogP2.45
TPSA187.85 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169381219) is [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CCCCc1nnc(-c2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc2)o1.
What is the InChIKey of [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is PQPGGDJZBZOLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10O/c1-2-3-4-14-30-31-20(32-14)12-7-5-11(6-8-12)17-15-16(24)13(9-22)18(25)28-19(15)29-21(27-17)26-10-23/h5-8,17H,2-4H2,1H3,(H6,24,25,26,27,28,29).
What are the key properties of [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 428.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169381219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).