N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C21H26N4O — CID 86693640

IUPACN-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C21H26N4O/c1-4-15-11-17(16-7-9-26-10-8-16)5-6-19(15)25(3)21-12-20-18(13-22-21)23-14-24(20)2/h5-6,11-14,16H,4,7-10H2,1-3H3
InChIKeyMLWHHOOZWXIHTD-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.19
Rot. Bonds4

About N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 86693640) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID86693640
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C21H26N4O/c1-4-15-11-17(16-7-9-26-10-8-16)5-6-19(15)25(3)21-12-20-18(13-22-21)23-14-24(20)2/h5-6,11-14,16H,4,7-10H2,1-3H3
InChIKeyMLWHHOOZWXIHTD-UHFFFAOYSA-N
XLogP4.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 86693640) is N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cc(C2CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is MLWHHOOZWXIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-15-11-17(16-7-9-26-10-8-16)5-6-19(15)25(3)21-12-20-18(13-22-21)23-14-24(20)2/h5-6,11-14,16H,4,7-10H2,1-3H3.
What are the key properties of N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 350.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(oxan-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 86693640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).