2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide

C15H16N8O — CID 134697631

IUPAC2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H16N8O/c16-12(24)10-2-1-3-17-14(10)22-4-6-23(7-5-22)15-11-13(19-8-18-11)20-9-21-15/h1-3,8-9H,4-7H2,(H2,16,24)(H,18,19,20,21)
InChIKeyIZVJHKMURBECFP-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.17
Rot. Bonds3

About 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 134697631) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID134697631
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H16N8O/c16-12(24)10-2-1-3-17-14(10)22-4-6-23(7-5-22)15-11-13(19-8-18-11)20-9-21-15/h1-3,8-9H,4-7H2,(H2,16,24)(H,18,19,20,21)
InChIKeyIZVJHKMURBECFP-UHFFFAOYSA-N
XLogP0.17
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 67161145
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-benzofuran-2-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 42535118
2-[4-(7H-purin-6-yl)piperazin-1-yl]butanethioamide
CID 63342163
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
CID 166605581
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 134697631) is 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is IZVJHKMURBECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c16-12(24)10-2-1-3-17-14(10)22-4-6-23(7-5-22)15-11-13(19-8-18-11)20-9-21-15/h1-3,8-9H,4-7H2,(H2,16,24)(H,18,19,20,21).
What are the key properties of 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134697631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).