1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide

C14H14N6O3 — CID 134517917

IUPAC1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide
SMILESCn1c(=O)c2c(ncn2C(=O)NCc2ccccn2)n(C)c1=O
InChIInChI=1S/C14H14N6O3/c1-18-11-10(12(21)19(2)14(18)23)20(8-17-11)13(22)16-7-9-5-3-4-6-15-9/h3-6,8H,7H2,1-2H3,(H,16,22)
InChIKeyMPUDLINZMDLKLW-UHFFFAOYSA-N
MW314.31 g/mol
LogP-0.41
Rot. Bonds2

About 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide

1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide (PubChem CID 134517917) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide
PubChem CID134517917
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide
SMILESCn1c(=O)c2c(ncn2C(=O)NCc2ccccn2)n(C)c1=O
InChIInChI=1S/C14H14N6O3/c1-18-11-10(12(21)19(2)14(18)23)20(8-17-11)13(22)16-7-9-5-3-4-6-15-9/h3-6,8H,7H2,1-2H3,(H,16,22)
InChIKeyMPUDLINZMDLKLW-UHFFFAOYSA-N
XLogP-0.41
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
CID 663453
1,3-dimethyl-7-(2-phenylbutanoyl)purine-2,6-dione
CID 131844359
methyl 2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]propanoate
CID 118961132
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16881983
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide
CID 6494608

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide (CID 134517917) is 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide is Cn1c(=O)c2c(ncn2C(=O)NCc2ccccn2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide?
The InChIKey is MPUDLINZMDLKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-18-11-10(12(21)19(2)14(18)23)20(8-17-11)13(22)16-7-9-5-3-4-6-15-9/h3-6,8H,7H2,1-2H3,(H,16,22).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide?
1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide has a molecular weight of 314.31 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide is sourced from PubChem (CID 134517917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).