N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine

C16H20N6 — CID 70710812

IUPACN,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-n2ccnc2-c2nccn2C)cn1
InChIInChI=1S/C16H20N6/c1-4-21(5-2)14-7-6-13(12-19-14)22-11-9-18-16(22)15-17-8-10-20(15)3/h6-12H,4-5H2,1-3H3
InChIKeySDNMCTUUPUYBDH-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.51
Rot. Bonds5

About N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine

N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine (PubChem CID 70710812) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine
PubChem CID70710812
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-n2ccnc2-c2nccn2C)cn1
InChIInChI=1S/C16H20N6/c1-4-21(5-2)14-7-6-13(12-19-14)22-11-9-18-16(22)15-17-8-10-20(15)3/h6-12H,4-5H2,1-3H3
InChIKeySDNMCTUUPUYBDH-UHFFFAOYSA-N
XLogP2.51
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine (CID 70710812) is N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine is CCN(CC)c1ccc(-n2ccnc2-c2nccn2C)cn1.
What is the InChIKey of N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine?
The InChIKey is SDNMCTUUPUYBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-21(5-2)14-7-6-13(12-19-14)22-11-9-18-16(22)15-17-8-10-20(15)3/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine?
N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine has a molecular weight of 296.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 70710812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).