N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide

C22H21FN4O3S — CID 92635131

IUPACN-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C22H21FN4O3S/c23-14-8-10-15(11-9-14)24-20(29)16-5-4-12-27(21(16)30)13-19(28)26-22-25-17-6-2-1-3-7-18(17)31-22/h4-5,8-12H,1-3,6-7,13H2,(H,24,29)(H,25,26,28)
InChIKeyZWRMYXHWNYTBPC-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.60
Rot. Bonds5

About N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 92635131) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID92635131
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C22H21FN4O3S/c23-14-8-10-15(11-9-14)24-20(29)16-5-4-12-27(21(16)30)13-19(28)26-22-25-17-6-2-1-3-7-18(17)31-22/h4-5,8-12H,1-3,6-7,13H2,(H,24,29)(H,25,26,28)
InChIKeyZWRMYXHWNYTBPC-UHFFFAOYSA-N
XLogP3.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-[2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635474
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 71828066
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32690879
5-fluoro-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 79883380
1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 92635290
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 47018012
2-(5-amino-2-oxo-1-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 62816537
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-difluorobenzamide
CID 26723073
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635156

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide (CID 92635131) is N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide is O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is ZWRMYXHWNYTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c23-14-8-10-15(11-9-14)24-20(29)16-5-4-12-27(21(16)30)13-19(28)26-22-25-17-6-2-1-3-7-18(17)31-22/h4-5,8-12H,1-3,6-7,13H2,(H,24,29)(H,25,26,28).
What are the key properties of N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).