N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide

C23H17FN4O4S — CID 60581190

IUPACN-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C23H17FN4O4S/c1-13-11-19(28-22(30)18-6-4-10-32-18)33-20(13)23(31)27-17-12-14(24)7-8-15(17)26-21(29)16-5-2-3-9-25-16/h2-12H,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyQGNGSBCVMDJTQG-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.94
Rot. Bonds6

About N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 60581190) has the molecular formula C23H17FN4O4S and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID60581190
Molecular FormulaC23H17FN4O4S
Molecular Weight464.48 g/mol
Exact Mass464.10
IUPAC NameN-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C23H17FN4O4S/c1-13-11-19(28-22(30)18-6-4-10-32-18)33-20(13)23(31)27-17-12-14(24)7-8-15(17)26-21(29)16-5-2-3-9-25-16/h2-12H,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyQGNGSBCVMDJTQG-UHFFFAOYSA-N
XLogP4.94
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 86857844
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
CID 75896601
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47739437
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide (CID 60581190) is N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is QGNGSBCVMDJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O4S/c1-13-11-19(28-22(30)18-6-4-10-32-18)33-20(13)23(31)27-17-12-14(24)7-8-15(17)26-21(29)16-5-2-3-9-25-16/h2-12H,1H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60581190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).