2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol

C20H24N4O — CID 135368502

IUPAC2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol
SMILESCC(C)(O)CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H24N4O/c1-19(2,13-20(3,4)25)24-17-11-16(14-5-8-21-9-6-14)23-18-12-22-10-7-15(17)18/h5-12,25H,13H2,1-4H3,(H,23,24)
InChIKeyLQOJKUGAIJNWDQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.04
Rot. Bonds5

About 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol

2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol (PubChem CID 135368502) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol
PubChem CID135368502
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol
SMILESCC(C)(O)CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H24N4O/c1-19(2,13-20(3,4)25)24-17-11-16(14-5-8-21-9-6-14)23-18-12-22-10-7-15(17)18/h5-12,25H,13H2,1-4H3,(H,23,24)
InChIKeyLQOJKUGAIJNWDQ-UHFFFAOYSA-N
XLogP4.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol 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 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol (CID 135368502) is 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol is CC(C)(O)CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol?
The InChIKey is LQOJKUGAIJNWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-19(2,13-20(3,4)25)24-17-11-16(14-5-8-21-9-6-14)23-18-12-22-10-7-15(17)18/h5-12,25H,13H2,1-4H3,(H,23,24).
What are the key properties of 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol?
2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol has a molecular weight of 336.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 135368502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).