N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide

C19H23FN4O2 — CID 4305311

IUPACN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnccn1
InChIInChI=1S/C19H23FN4O2/c1-14(2)7-11-24(19(26)17-13-21-9-10-22-17)12-8-18(25)23-16-6-4-3-5-15(16)20/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyBJFWGKVHYGQWCL-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.13
Rot. Bonds8

About N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide

N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 4305311) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID4305311
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnccn1
InChIInChI=1S/C19H23FN4O2/c1-14(2)7-11-24(19(26)17-13-21-9-10-22-17)12-8-18(25)23-16-6-4-3-5-15(16)20/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyBJFWGKVHYGQWCL-UHFFFAOYSA-N
XLogP3.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 3425328
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 4305311) is N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide is CC(C)CCN(CCC(=O)Nc1ccccc1F)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is BJFWGKVHYGQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14(2)7-11-24(19(26)17-13-21-9-10-22-17)12-8-18(25)23-16-6-4-3-5-15(16)20/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide?
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4305311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).