3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide

C14H14N6O3 — CID 47840262

IUPAC3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)Nc3ccccn3)nc21
InChIInChI=1S/C14H14N6O3/c1-20-12-11(13(22)19-14(20)23)17-9(18-12)5-6-10(21)16-8-4-2-3-7-15-8/h2-4,7H,5-6H2,1H3,(H,17,18)(H,15,16,21)(H,19,22,23)
InChIKeyRUBJHPASCNKKKJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP-0.08
Rot. Bonds4

About 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide

3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide (PubChem CID 47840262) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide
PubChem CID47840262
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)Nc3ccccn3)nc21
InChIInChI=1S/C14H14N6O3/c1-20-12-11(13(22)19-14(20)23)17-9(18-12)5-6-10(21)16-8-4-2-3-7-15-8/h2-4,7H,5-6H2,1H3,(H,17,18)(H,15,16,21)(H,19,22,23)
InChIKeyRUBJHPASCNKKKJ-UHFFFAOYSA-N
XLogP-0.08
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-diphenylethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 56523672
N-(2-methyl-1,3-benzoxazol-6-yl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 86867464
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 47780301
3-methyl-8-(2-phenylethyl)-7H-purine-2,6-dione
CID 115925676
(2S)-3-methyl-2-[3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoylamino]butanoic acid
CID 119360373
N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide
CID 120885616
8-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-3-methyl-7H-purine-2,6-dione
CID 120749538
8-butyl-3-methyl-7H-purine-2,6-dione
CID 112568989
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
CID 84577763
8-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-3-methyl-7H-purine-2,6-dione;hydrochloride
CID 120749537
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 60586091

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide (CID 47840262) is 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide is Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)Nc3ccccn3)nc21.
What is the InChIKey of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is RUBJHPASCNKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-20-12-11(13(22)19-14(20)23)17-9(18-12)5-6-10(21)16-8-4-2-3-7-15-8/h2-4,7H,5-6H2,1H3,(H,17,18)(H,15,16,21)(H,19,22,23).
What are the key properties of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide?
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 314.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 47840262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).