N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide

C20H15FN4O3S — CID 53156110

IUPACN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)no3)s2)cn1
InChIInChI=1S/C20H15FN4O3S/c1-27-17-9-4-13(10-22-17)19(26)23-11-15-7-8-16(29-15)20-24-18(25-28-20)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,26)
InChIKeyOOOOGTDZVBMIRT-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.94
Rot. Bonds6

About N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide

N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide (PubChem CID 53156110) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
PubChem CID53156110
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)no3)s2)cn1
InChIInChI=1S/C20H15FN4O3S/c1-27-17-9-4-13(10-22-17)19(26)23-11-15-7-8-16(29-15)20-24-18(25-28-20)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,26)
InChIKeyOOOOGTDZVBMIRT-UHFFFAOYSA-N
XLogP3.94
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
CID 53156159
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083893
2-[[(6-methoxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629166
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 167821447
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928572

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide (CID 53156110) is N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)no3)s2)cn1.
What is the InChIKey of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is OOOOGTDZVBMIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-27-17-9-4-13(10-22-17)19(26)23-11-15-7-8-16(29-15)20-24-18(25-28-20)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide?
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 53156110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).