N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide

C22H19N7O — CID 58968785

IUPACN-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
SMILESCNc1nc(NCc2cccnc2)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C22H19N7O/c1-14(30)28-17-7-5-16(6-8-17)20-18(10-23)21(25-2)29-22(19(20)11-24)27-13-15-4-3-9-26-12-15/h3-9,12H,13H2,1-2H3,(H,28,30)(H2,25,27,29)
InChIKeyWQSLQMJKCYOZQG-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide

N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide (PubChem CID 58968785) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
PubChem CID58968785
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC NameN-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
SMILESCNc1nc(NCc2cccnc2)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C22H19N7O/c1-14(30)28-17-7-5-16(6-8-17)20-18(10-23)21(25-2)29-22(19(20)11-24)27-13-15-4-3-9-26-12-15/h3-9,12H,13H2,1-2H3,(H,28,30)(H2,25,27,29)
InChIKeyWQSLQMJKCYOZQG-UHFFFAOYSA-N
XLogP3.50
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3,5-dicyano-2-(ethylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide
CID 58968757
N-[4-[3,5-dicyano-2-(2-methylpropylamino)-6-(pyridin-3-ylmethylsulfanyl)-4-pyridinyl]phenyl]acetamide
CID 58670195
N-[4-[3,5-dicyano-2-(2-hydroxyethylamino)-6-(pyridin-3-ylmethylsulfanyl)-4-pyridinyl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 162340451
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide
CID 58670186
[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylsulfanyl)-4-pyridinyl]phenyl] hypofluorite
CID 176709684
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide (CID 58968785) is N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide is CNc1nc(NCc2cccnc2)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N.
What is the InChIKey of N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide?
The InChIKey is WQSLQMJKCYOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-14(30)28-17-7-5-16(6-8-17)20-18(10-23)21(25-2)29-22(19(20)11-24)27-13-15-4-3-9-26-12-15/h3-9,12H,13H2,1-2H3,(H,28,30)(H2,25,27,29).
What are the key properties of N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide?
N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dicyano-2-(methylamino)-6-(pyridin-3-ylmethylamino)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58968785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).