N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C21H24N4O — CID 86693641

IUPACN-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2=CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C21H24N4O/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/h5-7,11-14H,4,8-10H2,1-3H3
InChIKeyIYRICQVHYPSKMH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 86693641) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID86693641
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2=CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C21H24N4O/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/h5-7,11-14H,4,8-10H2,1-3H3
InChIKeyIYRICQVHYPSKMH-UHFFFAOYSA-N
XLogP4.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 86693641) is N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cc(C2=CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is IYRICQVHYPSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/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/h5-7,11-14H,4,8-10H2,1-3H3.
What are the key properties of N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 348.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 86693641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).