2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C13H21N5 — CID 79816204

IUPAC2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCNCC(C)c1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C13H21N5/c1-5-14-8-9(2)12-15-10-6-7-11(18(3)4)16-13(10)17-12/h6-7,9,14H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyIXULQYKEXFOFIP-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79816204) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79816204
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCNCC(C)c1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C13H21N5/c1-5-14-8-9(2)12-15-10-6-7-11(18(3)4)16-13(10)17-12/h6-7,9,14H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyIXULQYKEXFOFIP-UHFFFAOYSA-N
XLogP1.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79816204) is 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CCNCC(C)c1nc2nc(N(C)C)ccc2[nH]1.
What is the InChIKey of 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IXULQYKEXFOFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-14-8-9(2)12-15-10-6-7-11(18(3)4)16-13(10)17-12/h6-7,9,14H,5,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 247.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propan-2-yl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79816204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).