3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C25H32N6O3 — CID 171654364

About 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 171654364) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• PubChem CID: 171654364
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• SMILES: Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCNc3cc(C)nc(C)c3)cn2)cc1
• InChI: InChI=1S/C25H32N6O3/c1-18-5-7-23(8-6-18)34-12-11-30(4)25(33)17-31-16-22(15-27-31)29-24(32)9-10-26-21-13-19(2)28-20(3)14-21/h5-8,13-16H,9-12,17H2,1-4H3,(H,26,28)(H,29,32)
• InChIKey: LFMUOZBCLNZXGE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 171654364) is 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCNc3cc(C)nc(C)c3)cn2)cc1.

What is the InChIKey of 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The InChIKey is LFMUOZBCLNZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-18-5-7-23(8-6-18)34-12-11-30(4)25(33)17-31-16-22(15-27-31)29-24(32)9-10-26-21-13-19(2)28-20(3)14-21/h5-8,13-16H,9-12,17H2,1-4H3,(H,26,28)(H,29,32).

What are the key properties of 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 464.57 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 171654364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).