N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

C22H17N3O4S — CID 66967821

IUPACN-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H17N3O4S/c26-17-9-8-15(13-24-17)22(28)23-11-10-18-25-19(16-7-4-12-29-16)21(30-18)20(27)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,28)(H,24,26)
InChIKeyNZNROTVYGWXGCK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.29
Rot. Bonds7

About N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 66967821) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID66967821
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H17N3O4S/c26-17-9-8-15(13-24-17)22(28)23-11-10-18-25-19(16-7-4-12-29-16)21(30-18)20(27)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,28)(H,24,26)
InChIKeyNZNROTVYGWXGCK-UHFFFAOYSA-N
XLogP3.29
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
CID 158305858
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
2-amino-6-(furan-2-yl)-N-(2-hydroxyethyl)-5-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 22707983
N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 17406782
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4796120
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 66967821) is N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NZNROTVYGWXGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-17-9-8-15(13-24-17)22(28)23-11-10-18-25-19(16-7-4-12-29-16)21(30-18)20(27)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,28)(H,24,26).
What are the key properties of N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66967821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).