N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide

C18H16N8O — CID 117091693

IUPACN-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccncc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C18H16N8O/c1-11(27)22-12-2-4-13(5-3-12)23-17-15-16(21-10-20-15)25-18(26-17)24-14-6-8-19-9-7-14/h2-10H,1H3,(H,22,27)(H3,19,20,21,23,24,25,26)
InChIKeyZTVNDCJONVIORF-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.19
Rot. Bonds5

About N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide

N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide (PubChem CID 117091693) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide
PubChem CID117091693
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccncc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C18H16N8O/c1-11(27)22-12-2-4-13(5-3-12)23-17-15-16(21-10-20-15)25-18(26-17)24-14-6-8-19-9-7-14/h2-10H,1H3,(H,22,27)(H3,19,20,21,23,24,25,26)
InChIKeyZTVNDCJONVIORF-UHFFFAOYSA-N
XLogP3.19
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[4-[[2-(pyridin-4-ylamino)-9-thiophen-3-ylpurin-6-yl]amino]phenyl]acetamide
CID 117090451
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
CID 136970959
2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
CID 142948412

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide (CID 117091693) is N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(Nc3ccncc3)nc3nc[nH]c23)cc1.
What is the InChIKey of N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide?
The InChIKey is ZTVNDCJONVIORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-11(27)22-12-2-4-13(5-3-12)23-17-15-16(21-10-20-15)25-18(26-17)24-14-6-8-19-9-7-14/h2-10H,1H3,(H,22,27)(H3,19,20,21,23,24,25,26).
What are the key properties of N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide?
N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117091693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).