N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide

C18H16N4O4 — CID 47057374

IUPACN-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C18H16N4O4/c1-12(21-18(24)13-6-9-25-11-13)17(23)22-14-2-4-15(5-3-14)26-16-10-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23)
InChIKeyPTBRPNOFVVFBQV-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.62
Rot. Bonds6

About N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide (PubChem CID 47057374) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide
PubChem CID47057374
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C18H16N4O4/c1-12(21-18(24)13-6-9-25-11-13)17(23)22-14-2-4-15(5-3-14)26-16-10-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23)
InChIKeyPTBRPNOFVVFBQV-UHFFFAOYSA-N
XLogP2.62
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 99782321
N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 102561220
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032624
N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
CID 55831241
N-[(2R)-1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964466
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide (CID 47057374) is N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)Nc1ccc(Oc2cnccn2)cc1.
What is the InChIKey of N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide?
The InChIKey is PTBRPNOFVVFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-12(21-18(24)13-6-9-25-11-13)17(23)22-14-2-4-15(5-3-14)26-16-10-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47057374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).