N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C23H21N7O2 — CID 170731032

IUPACN-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C34COC(C3)C4)n2)c(-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C23H21N7O2/c1-13-5-21(30-22(27-13)23-7-16(8-23)32-12-23)29-19-6-20(28-14(2)31)26-11-17(19)18-4-3-15(9-24)10-25-18/h3-6,10-11,16H,7-8,12H2,1-2H3,(H2,26,27,28,29,30,31)
InChIKeyYNYDBIQWUPMGQW-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.25
Rot. Bonds5

About N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 170731032) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID170731032
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C34COC(C3)C4)n2)c(-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C23H21N7O2/c1-13-5-21(30-22(27-13)23-7-16(8-23)32-12-23)29-19-6-20(28-14(2)31)26-11-17(19)18-4-3-15(9-24)10-25-18/h3-6,10-11,16H,7-8,12H2,1-2H3,(H2,26,27,28,29,30,31)
InChIKeyYNYDBIQWUPMGQW-UHFFFAOYSA-N
XLogP3.25
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]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-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
CID 166918746
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 175990779
N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918953
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730825
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990722
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]amino]-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-2-pyridinyl]acetamide
CID 170730858
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(7-hydroxy-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
CID 170730913
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918888
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 170730673

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 170731032) is N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C34COC(C3)C4)n2)c(-c2ccc(C#N)cn2)cn1.
What is the InChIKey of N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is YNYDBIQWUPMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-13-5-21(30-22(27-13)23-7-16(8-23)32-12-23)29-19-6-20(28-14(2)31)26-11-17(19)18-4-3-15(9-24)10-25-18/h3-6,10-11,16H,7-8,12H2,1-2H3,(H2,26,27,28,29,30,31).
What are the key properties of N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 427.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 170731032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).