N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

C25H28N8O2 — CID 66746437

IUPACN-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(Nc3cnc(C#N)cn3)cc2N(C)C2CCNCC2)cc1
InChIInChI=1S/C25H28N8O2/c1-33(19-7-9-27-10-8-19)22-12-23(32-24-16-28-18(13-26)14-29-24)30-15-21(22)31-25(34)11-17-3-5-20(35-2)6-4-17/h3-6,12,14-16,19,27H,7-11H2,1-2H3,(H,31,34)(H,29,30,32)
InChIKeyFICKSWOACBOCOV-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.86
Rot. Bonds8

About N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 66746437) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
PubChem CID66746437
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(Nc3cnc(C#N)cn3)cc2N(C)C2CCNCC2)cc1
InChIInChI=1S/C25H28N8O2/c1-33(19-7-9-27-10-8-19)22-12-23(32-24-16-28-18(13-26)14-29-24)30-15-21(22)31-25(34)11-17-3-5-20(35-2)6-4-17/h3-6,12,14-16,19,27H,7-11H2,1-2H3,(H,31,34)(H,29,30,32)
InChIKeyFICKSWOACBOCOV-UHFFFAOYSA-N
XLogP2.86
TPSA128.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)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

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide
CID 66746307
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
tert-butyl 4-[[2-[(5-cyanopyrazin-2-yl)amino]-5-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59613336
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 143784615
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613386
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294766
6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
CID 143784563
1-[5-chloro-2-methoxy-4-[2-[(4-methoxyphenyl)methylamino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596278
ethane;5-[[5-(4-methylsulfonylphenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784516
5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (CID 66746437) is N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cnc(Nc3cnc(C#N)cn3)cc2N(C)C2CCNCC2)cc1.
What is the InChIKey of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FICKSWOACBOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-33(19-7-9-27-10-8-19)22-12-23(32-24-16-28-18(13-26)14-29-24)30-15-21(22)31-25(34)11-17-3-5-20(35-2)6-4-17/h3-6,12,14-16,19,27H,7-11H2,1-2H3,(H,31,34)(H,29,30,32).
What are the key properties of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 472.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 66746437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).