2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine

C20H19N5 — CID 70114161

IUPAC2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine
SMILESCc1ccc(-c2cn(C)c(CCc3ccc4ncccc4n3)n2)cn1
InChIInChI=1S/C20H19N5/c1-14-5-6-15(12-22-14)19-13-25(2)20(24-19)10-8-16-7-9-17-18(23-16)4-3-11-21-17/h3-7,9,11-13H,8,10H2,1-2H3
InChIKeyZCQODAFFGMGUBR-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.52
Rot. Bonds4

About 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine

2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine (PubChem CID 70114161) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine
PubChem CID70114161
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine
SMILESCc1ccc(-c2cn(C)c(CCc3ccc4ncccc4n3)n2)cn1
InChIInChI=1S/C20H19N5/c1-14-5-6-15(12-22-14)19-13-25(2)20(24-19)10-8-16-7-9-17-18(23-16)4-3-11-21-17/h3-7,9,11-13H,8,10H2,1-2H3
InChIKeyZCQODAFFGMGUBR-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine?
The IUPAC name of 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine (CID 70114161) is 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine.
What is the SMILES notation for 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine?
The canonical SMILES for 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine is Cc1ccc(-c2cn(C)c(CCc3ccc4ncccc4n3)n2)cn1.
What is the InChIKey of 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine?
The InChIKey is ZCQODAFFGMGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-5-6-15(12-22-14)19-13-25(2)20(24-19)10-8-16-7-9-17-18(23-16)4-3-11-21-17/h3-7,9,11-13H,8,10H2,1-2H3.
What are the key properties of 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine?
2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine has a molecular weight of 329.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine is sourced from PubChem (CID 70114161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).