5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine

C21H22N6 — CID 66778750

IUPAC5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3c2)cn1
InChIInChI=1S/C21H22N6/c1-26(2)19-7-5-14(10-22-19)16-9-17-18(13-25-21(17)24-12-16)15-6-8-20(23-11-15)27(3)4/h5-13H,1-4H3,(H,24,25)
InChIKeyREVMLCZGWSFWGN-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.82
Rot. Bonds4

About 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine

5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 66778750) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
PubChem CID66778750
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3c2)cn1
InChIInChI=1S/C21H22N6/c1-26(2)19-7-5-14(10-22-19)16-9-17-18(13-25-21(17)24-12-16)15-6-8-20(23-11-15)27(3)4/h5-13H,1-4H3,(H,24,25)
InChIKeyREVMLCZGWSFWGN-UHFFFAOYSA-N
XLogP3.82
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine (CID 66778750) is 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3c2)cn1.
What is the InChIKey of 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is REVMLCZGWSFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-26(2)19-7-5-14(10-22-19)16-9-17-18(13-25-21(17)24-12-16)15-6-8-20(23-11-15)27(3)4/h5-13H,1-4H3,(H,24,25).
What are the key properties of 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine?
5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 358.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 66778750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).