N-acetylpyridine-3-carboxamide;7H-purin-6-amine

C13H13N7O2 — CID 66746855

IUPACN-acetylpyridine-3-carboxamide;7H-purin-6-amine
SMILESCC(=O)NC(=O)c1cccnc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C8H8N2O2.C5H5N5/c1-6(11)10-8(12)7-3-2-4-9-5-7;6-4-3-5(9-1-7-3)10-2-8-4/h2-5H,1H3,(H,10,11,12);1-2H,(H3,6,7,8,9,10)
InChIKeySUASIXPDVMRCMV-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.29
Rot. Bonds1

About N-acetylpyridine-3-carboxamide;7H-purin-6-amine

N-acetylpyridine-3-carboxamide;7H-purin-6-amine (PubChem CID 66746855) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-acetylpyridine-3-carboxamide;7H-purin-6-amine.

Molecular Properties

Compound NameN-acetylpyridine-3-carboxamide;7H-purin-6-amine
PubChem CID66746855
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-acetylpyridine-3-carboxamide;7H-purin-6-amine
SMILESCC(=O)NC(=O)c1cccnc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C8H8N2O2.C5H5N5/c1-6(11)10-8(12)7-3-2-4-9-5-7;6-4-3-5(9-1-7-3)10-2-8-4/h2-5H,1H3,(H,10,11,12);1-2H,(H3,6,7,8,9,10)
InChIKeySUASIXPDVMRCMV-UHFFFAOYSA-N
XLogP0.29
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;7H-purin-6-amine;pyridine-3-carboxamide
CID 162030735
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine
CID 175045440
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215
benzamide;7H-purin-6-amine
CID 66705736
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
N-methylpyridine-3-carboxamide chloride
CID 20976730
3-hydroxy-4-(7H-purin-6-ylamino)butanoic acid;pyridine-3-carboxamide
CID 70618273
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
bis(7H-purin-6-amine);sulfate
CID 23616791

Frequently Asked Questions

What is the IUPAC name of N-acetylpyridine-3-carboxamide;7H-purin-6-amine?
The IUPAC name of N-acetylpyridine-3-carboxamide;7H-purin-6-amine (CID 66746855) is N-acetylpyridine-3-carboxamide;7H-purin-6-amine.
What is the SMILES notation for N-acetylpyridine-3-carboxamide;7H-purin-6-amine?
The canonical SMILES for N-acetylpyridine-3-carboxamide;7H-purin-6-amine is CC(=O)NC(=O)c1cccnc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-acetylpyridine-3-carboxamide;7H-purin-6-amine?
The InChIKey is SUASIXPDVMRCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C5H5N5/c1-6(11)10-8(12)7-3-2-4-9-5-7;6-4-3-5(9-1-7-3)10-2-8-4/h2-5H,1H3,(H,10,11,12);1-2H,(H3,6,7,8,9,10).
What are the key properties of N-acetylpyridine-3-carboxamide;7H-purin-6-amine?
N-acetylpyridine-3-carboxamide;7H-purin-6-amine has a molecular weight of 299.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylpyridine-3-carboxamide;7H-purin-6-amine is sourced from PubChem (CID 66746855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).