N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide

C19H23FN4O3 — CID 3425328

IUPACN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23FN4O3/c1-14-12-22-17(13-21-14)19(26)24(9-5-11-27-2)10-8-18(25)23-16-7-4-3-6-15(16)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,23,25)
InChIKeySDDDETTWNJJCTR-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.43
Rot. Bonds9

About N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide

N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide (PubChem CID 3425328) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
PubChem CID3425328
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23FN4O3/c1-14-12-22-17(13-21-14)19(26)24(9-5-11-27-2)10-8-18(25)23-16-7-4-3-6-15(16)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,23,25)
InChIKeySDDDETTWNJJCTR-UHFFFAOYSA-N
XLogP2.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253079
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide (CID 3425328) is N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide is COCCCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is SDDDETTWNJJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-14-12-22-17(13-21-14)19(26)24(9-5-11-27-2)10-8-18(25)23-16-7-4-3-6-15(16)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide?
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 3425328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).