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

C24H30N6O3 — CID 171654521

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

N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide (PubChem CID 171654521) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide.

Molecular Properties

• Compound Name: N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide
• PubChem CID: 171654521
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide
• SMILES: Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCNc3cc(C)ccn3)cn2)cc1
• InChI: InChI=1S/C24H30N6O3/c1-18-4-6-21(7-5-18)33-13-12-29(3)24(32)17-30-16-20(15-27-30)28-23(31)9-11-26-22-14-19(2)8-10-25-22/h4-8,10,14-16H,9,11-13,17H2,1-3H3,(H,25,26)(H,28,31)
• InChIKey: ARPIHUQGHRCWLH-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide (CID 171654521) is N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide.

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

The canonical SMILES for N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCNc3cc(C)ccn3)cn2)cc1.

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

The InChIKey is ARPIHUQGHRCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-4-6-21(7-5-18)33-13-12-29(3)24(32)17-30-16-20(15-27-30)28-23(31)9-11-26-22-14-19(2)8-10-25-22/h4-8,10,14-16H,9,11-13,17H2,1-3H3,(H,25,26)(H,28,31).

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

N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide has a molecular weight of 450.54 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 171654521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).