3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide

C20H26FN5O2 — CID 111683750

IUPAC3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESC/N=C(/NCCC(=O)Nc1cccc(C)n1)NCC(C)Oc1ccccc1F
InChIInChI=1S/C20H26FN5O2/c1-14-7-6-10-18(25-14)26-19(27)11-12-23-20(22-3)24-13-15(2)28-17-9-5-4-8-16(17)21/h4-10,15H,11-13H2,1-3H3,(H2,22,23,24)(H,25,26,27)
InChIKeyDGKNJWGELYUTIJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.49
Rot. Bonds8

About 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 111683750) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID111683750
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESC/N=C(/NCCC(=O)Nc1cccc(C)n1)NCC(C)Oc1ccccc1F
InChIInChI=1S/C20H26FN5O2/c1-14-7-6-10-18(25-14)26-19(27)11-12-23-20(22-3)24-13-15(2)28-17-9-5-4-8-16(17)21/h4-10,15H,11-13H2,1-3H3,(H2,22,23,24)(H,25,26,27)
InChIKeyDGKNJWGELYUTIJ-UHFFFAOYSA-N
XLogP2.49
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-Ethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769331
N,N'-2,6-pyridinediylbis[2-(4-methoxyphenoxy)acetamide]
CID 1300515
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-[[4-[4-(2-phenoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 137371326
2-Phenoxy-N-(2-pyridinyl)acetamide
CID 816671
2-phenoxy-N-(2-pyridinyl)butanamide
CID 644606
2-(2-methylphenoxy)-N-(6-methylpyridin-2-yl)acetamide
CID 795871
2-(2-methylphenoxy)-N-(6-methylpyridin-2-yl)propanamide
CID 2976902
N-(3-methylpyridin-2-yl)-2-phenoxypropanamide
CID 2977782
N-(4-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)-2-phenoxypropanamide
CID 18566664
N-(4-{[4-Methyl-6-(pyrrolidin-1-YL)pyrimidin-2-YL]amino}phenyl)-2-phenoxyacetamide
CID 18566669
1-(6-(4-(2-(Diethylamino)ethoxy)phenylamino)pyrimidin-4-yl)-3-(2,6-difluorophenyl)-1-methylurea
CID 44412602

Frequently Asked Questions

What is the IUPAC name of 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 111683750) is 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide is C/N=C(/NCCC(=O)Nc1cccc(C)n1)NCC(C)Oc1ccccc1F.
What is the InChIKey of 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is DGKNJWGELYUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-14-7-6-10-18(25-14)26-19(27)11-12-23-20(22-3)24-13-15(2)28-17-9-5-4-8-16(17)21/h4-10,15H,11-13H2,1-3H3,(H2,22,23,24)(H,25,26,27).
What are the key properties of 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111683750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).