9-(2-pyridin-2-ylethyl)purine-2-carboxamide

C13H12N6O — CID 154234866

IUPAC9-(2-pyridin-2-ylethyl)purine-2-carboxamide
SMILESNC(=O)c1ncc2ncn(CCc3ccccn3)c2n1
InChIInChI=1S/C13H12N6O/c14-11(20)12-16-7-10-13(18-12)19(8-17-10)6-4-9-3-1-2-5-15-9/h1-3,5,7-8H,4,6H2,(H2,14,20)
InChIKeyMEQGBBKEEHSXCN-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.56
Rot. Bonds4

About 9-(2-pyridin-2-ylethyl)purine-2-carboxamide

9-(2-pyridin-2-ylethyl)purine-2-carboxamide (PubChem CID 154234866) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 9-(2-pyridin-2-ylethyl)purine-2-carboxamide.

Molecular Properties

Compound Name9-(2-pyridin-2-ylethyl)purine-2-carboxamide
PubChem CID154234866
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name9-(2-pyridin-2-ylethyl)purine-2-carboxamide
SMILESNC(=O)c1ncc2ncn(CCc3ccccn3)c2n1
InChIInChI=1S/C13H12N6O/c14-11(20)12-16-7-10-13(18-12)19(8-17-10)6-4-9-3-1-2-5-15-9/h1-3,5,7-8H,4,6H2,(H2,14,20)
InChIKeyMEQGBBKEEHSXCN-UHFFFAOYSA-N
XLogP0.56
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051
3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503465
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
ethyl (2R)-2-[[4-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 95636163
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine
CID 175967483
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
1,4-dipyridin-2-ylbutan-2-one
CID 105108067

Frequently Asked Questions

What is the IUPAC name of 9-(2-pyridin-2-ylethyl)purine-2-carboxamide?
The IUPAC name of 9-(2-pyridin-2-ylethyl)purine-2-carboxamide (CID 154234866) is 9-(2-pyridin-2-ylethyl)purine-2-carboxamide.
What is the SMILES notation for 9-(2-pyridin-2-ylethyl)purine-2-carboxamide?
The canonical SMILES for 9-(2-pyridin-2-ylethyl)purine-2-carboxamide is NC(=O)c1ncc2ncn(CCc3ccccn3)c2n1.
What is the InChIKey of 9-(2-pyridin-2-ylethyl)purine-2-carboxamide?
The InChIKey is MEQGBBKEEHSXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-11(20)12-16-7-10-13(18-12)19(8-17-10)6-4-9-3-1-2-5-15-9/h1-3,5,7-8H,4,6H2,(H2,14,20).
What are the key properties of 9-(2-pyridin-2-ylethyl)purine-2-carboxamide?
9-(2-pyridin-2-ylethyl)purine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyridin-2-ylethyl)purine-2-carboxamide is sourced from PubChem (CID 154234866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).