5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione

C17H14N6O2 — CID 56916716

IUPAC5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/C17H14N6O2/c24-16-13(9-21-17(25)23-16)12-7-14(22-15-11(12)4-6-19-15)20-8-10-3-1-2-5-18-10/h1-7,9H,8H2,(H2,19,20,22)(H2,21,23,24,25)
InChIKeyPZAZQZRAGPFFAT-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.61
Rot. Bonds4

About 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione

5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione (PubChem CID 56916716) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
PubChem CID56916716
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/C17H14N6O2/c24-16-13(9-21-17(25)23-16)12-7-14(22-15-11(12)4-6-19-15)20-8-10-3-1-2-5-18-10/h1-7,9H,8H2,(H2,19,20,22)(H2,21,23,24,25)
InChIKeyPZAZQZRAGPFFAT-UHFFFAOYSA-N
XLogP1.61
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
CID 56882752
4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
4-(2,6-dimethyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70781252
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
4-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70738109
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56914657

Frequently Asked Questions

What is the IUPAC name of 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione (CID 56916716) is 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(=O)[nH]1.
What is the InChIKey of 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is PZAZQZRAGPFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-16-13(9-21-17(25)23-16)12-7-14(22-15-11(12)4-6-19-15)20-8-10-3-1-2-5-18-10/h1-7,9H,8H2,(H2,19,20,22)(H2,21,23,24,25).
What are the key properties of 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione?
5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56916716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).