N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide

C26H29N5O3 — CID 59484503

About N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide

N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide (PubChem CID 59484503) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide
• PubChem CID: 59484503
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide
• SMILES: Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3ON(C)C(=O)C(C)C)c2n1
• InChI: InChI=1S/C26H29N5O3/c1-15(2)26(32)31(6)34-25-21(16(3)10-11-27-25)14-33-22-9-7-8-19-20(12-18(5)29-24(19)22)23-17(4)13-28-30-23/h7-13,15H,14H2,1-6H3,(H,28,30)
• InChIKey: TXDJHONLKZXUJH-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 93.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide?

The IUPAC name of N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide (CID 59484503) is N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide is Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3ON(C)C(=O)C(C)C)c2n1.

What is the InChIKey of N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide?

The InChIKey is TXDJHONLKZXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-15(2)26(32)31(6)34-25-21(16(3)10-11-27-25)14-33-22-9-7-8-19-20(12-18(5)29-24(19)22)23-17(4)13-28-30-23/h7-13,15H,14H2,1-6H3,(H,28,30).

What are the key properties of N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide?

N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide has a molecular weight of 459.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 59484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).