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

C18H14N10 — CID 169378899

IUPAC[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccccc2-n2ccnc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C18H14N10/c19-7-11-14(21)13-15(25-18(24-8-20)27-17(13)26-16(11)22)10-3-1-2-4-12(10)28-6-5-23-9-28/h1-6,9,15H,(H6,21,22,24,25,26,27)
InChIKeyKZICLYAULSBJAM-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.24
Rot. Bonds2

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

[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169378899) has the molecular formula C18H14N10 and a molecular weight of 370.38 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169378899
Molecular FormulaC18H14N10
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccccc2-n2ccnc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C18H14N10/c19-7-11-14(21)13-15(25-18(24-8-20)27-17(13)26-16(11)22)10-3-1-2-4-12(10)28-6-5-23-9-28/h1-6,9,15H,(H6,21,22,24,25,26,27)
InChIKeyKZICLYAULSBJAM-UHFFFAOYSA-N
XLogP1.24
TPSA166.75 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[5,7-diamino-6-cyano-4-[2-[(dimethylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380365
[5,7-diamino-6-cyano-4-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-6-cyano-4-[2-(4-cyanophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379401
[5,7-diamino-6-cyano-4-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378709
[5,7-diamino-6-cyano-4-[2-(piperidin-1-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378995
[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380842
[5,7-diamino-6-cyano-4-[2-(3-cyanophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379404
[5,7-diamino-6-cyano-4-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[5,7-diamino-6-cyano-4-(2-hydroxy-3-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379782
[5,7-diamino-6-cyano-4-(2,5-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378775
[5,7-diamino-4-(5-chloro-2-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378591
[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379928

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169378899) is [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2ccccc2-n2ccnc2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is KZICLYAULSBJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N10/c19-7-11-14(21)13-15(25-18(24-8-20)27-17(13)26-16(11)22)10-3-1-2-4-12(10)28-6-5-23-9-28/h1-6,9,15H,(H6,21,22,24,25,26,27).
What are the key properties of [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 370.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169378899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).